Chemical ID: 5104316

c1ccc2c(c1)cccc2C(CN3CCNCC3)O
Chemical ID:
5104316
Name [?]:
1-(1-naphthyl)-2-piperazin-1-yl-ethanol
SMILES [?]:
c1ccc2c(c1)cccc2C(CN3CCNCC3)O
InChi [?]:
InChI=1/C16H20N2O/c19-16(12-18-10-8-17-9-11-18)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,16-17,19H,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,3,9,15,17,14,18,12,5,4,10,11,16,13,19/E:(8,9)(10,11)/rA:19cCCCCCCCCCCCCNCCNCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s11;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:8.0493
Area:441.668
Solvation:-2.9924
Coulombic:-32.1922
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:256.343
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.84
LogP (Chemaxon):2.0

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