Chemical ID: 3963663

CC(c1ccccc1)N2CCNCC2
Chemical ID:
3963663
Name [?]:
1-(1-phenylethyl)piperazine
SMILES [?]:
CC(c1ccccc1)N2CCNCC2
InChi [?]:
InChI=1/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,8,11,13,10,14,2,3,12,9/E:(3,4)(5,6)(7,8)(9,10)/rA:14cCCCCCCCCNCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H18N2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.84603
Area:364.203
Solvation:-1.25904
Coulombic:-15.3887
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:190.285
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.7
LogP (Chemaxon):1.79

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