Chemical ID: 5829770

c1cc(ccc1CN2CCCCC2)Cl
Chemical ID:
5829770
Name [?]:
1-[(4-chlorophenyl)methyl]piperidine
SMILES [?]:
c1cc(ccc1CN2CCCCC2)Cl
InChi [?]:
InChI=1/C12H16ClN/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2
InChi Info:
AuxInfo=1/0/N:11,10,12,1,5,2,4,9,13,7,6,3,14,8/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCCCCCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16ClN
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.62604
Area:387.017
Solvation:-1.04939
Coulombic:-7.2418
Bond Count [?]
All:15
Single:12
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:209.715
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.26
LogP (Chemaxon):3.17

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