Chemical ID: 3966753

c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccccc3)c4ccccc4
Chemical ID:
3966753
Name [?]:
1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine
SMILES [?]:
c1ccc(cc1)CCCN2CCN(CC2)CCOC(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C28H34N2O/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-9,11-12,14-17,28H,10,13,18-24H2
InChi Info:
AuxInfo=1/0/N:1,23,29,2,6,22,24,28,30,8,3,5,7,21,25,27,31,9,11,15,12,14,16,17,4,20,26,19,10,13,18/E:(2,3)(4,5)(6,7,8,9)(11,12)(14,15,16,17)(19,20)(21,22)(26,27)/rA:31nCCCCCCCCCNCCNCCCCOCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s10s14;s13;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H34N2O
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.6546
Area:706.037
Solvation:-3.9963
Coulombic:-23.2157
Bond Count [?]
All:34
Single:25
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:414.582
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.03
LogP (Chemaxon):5.84

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue