3-(3-chlorophenyl)-4-cyclopentylpiperidine

C16H22ClN — CID 79431788

IUPAC3-(3-chlorophenyl)-4-cyclopentylpiperidine
SMILESClc1cccc(C2CNCCC2C2CCCC2)c1
InChIInChI=1S/C16H22ClN/c17-14-7-3-6-13(10-14)16-11-18-9-8-15(16)12-4-1-2-5-12/h3,6-7,10,12,15-16,18H,1-2,4-5,8-9,11H2
InChIKeySZLUOJVPWALMMY-UHFFFAOYSA-N
MW263.81 g/mol
LogP4.22
Rot. Bonds2

About 3-(3-chlorophenyl)-4-cyclopentylpiperidine

3-(3-chlorophenyl)-4-cyclopentylpiperidine (PubChem CID 79431788) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-cyclopentylpiperidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-cyclopentylpiperidine
PubChem CID79431788
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name3-(3-chlorophenyl)-4-cyclopentylpiperidine
SMILESClc1cccc(C2CNCCC2C2CCCC2)c1
InChIInChI=1S/C16H22ClN/c17-14-7-3-6-13(10-14)16-11-18-9-8-15(16)12-4-1-2-5-12/h3,6-7,10,12,15-16,18H,1-2,4-5,8-9,11H2
InChIKeySZLUOJVPWALMMY-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-4-cyclopropylpiperidine
CID 79432038
3-(3-chlorophenyl)-4-pentan-3-ylpiperidine
CID 79433289
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
CID 79433508
3-(4-bromophenyl)-4-cyclopentylpiperidine
CID 79434969
1-chloro-3-[(1R,2S)-2-cyclopropylcyclopropyl]benzene
CID 54091231
3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine
CID 79455204
3-(3-chlorophenyl)-4-(3-methoxyphenyl)piperidine
CID 79430329
3-(3-fluorophenyl)-4-(oxan-3-yl)piperidine
CID 79432791
3-(3-chlorophenyl)-4-(2,4-difluorophenyl)piperidine
CID 79434014
4-(3-chlorophenyl)-3-propylpiperidine
CID 79321401
3-cyclopentyl-4-[3-(difluoromethyl)phenyl]piperidine
CID 115927082
2-(3-chlorophenyl)cyclohexan-1-ol
CID 14382197

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-cyclopentylpiperidine?
The IUPAC name of 3-(3-chlorophenyl)-4-cyclopentylpiperidine (CID 79431788) is 3-(3-chlorophenyl)-4-cyclopentylpiperidine.
What is the SMILES notation for 3-(3-chlorophenyl)-4-cyclopentylpiperidine?
The canonical SMILES for 3-(3-chlorophenyl)-4-cyclopentylpiperidine is Clc1cccc(C2CNCCC2C2CCCC2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-cyclopentylpiperidine?
The InChIKey is SZLUOJVPWALMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN/c17-14-7-3-6-13(10-14)16-11-18-9-8-15(16)12-4-1-2-5-12/h3,6-7,10,12,15-16,18H,1-2,4-5,8-9,11H2.
What are the key properties of 3-(3-chlorophenyl)-4-cyclopentylpiperidine?
3-(3-chlorophenyl)-4-cyclopentylpiperidine has a molecular weight of 263.81 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-cyclopentylpiperidine is sourced from PubChem (CID 79431788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).