3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine

C16H17ClN2 — CID 79434183

IUPAC3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine
SMILESClc1ccc(C2CNCCC2c2cccnc2)cc1
InChIInChI=1S/C16H17ClN2/c17-14-5-3-12(4-6-14)16-11-19-9-7-15(16)13-2-1-8-18-10-13/h1-6,8,10,15-16,19H,7,9,11H2
InChIKeyYKDQJCIYGCXIFJ-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.60
Rot. Bonds2

About 3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine

3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine (PubChem CID 79434183) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine
PubChem CID79434183
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine
SMILESClc1ccc(C2CNCCC2c2cccnc2)cc1
InChIInChI=1S/C16H17ClN2/c17-14-5-3-12(4-6-14)16-11-19-9-7-15(16)13-2-1-8-18-10-13/h1-6,8,10,15-16,19H,7,9,11H2
InChIKeyYKDQJCIYGCXIFJ-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-methylphenyl)piperidin-4-yl]pyridine
CID 79441307
3,4-bis(4-chlorophenyl)piperidine
CID 79434307
3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine
CID 79454588
3-(4-chlorophenyl)-4-(2,6-difluorophenyl)piperidine
CID 79433603
4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433397
3-pyrrolidin-3-ylpyridine
CID 3613651
4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 114489277
3-(3-chlorophenyl)-4-(3,4-difluorophenyl)piperidine
CID 79433508
(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine
CID 70225291
9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane
CID 57485548
4-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)piperidine
CID 79433373
4-(3-chloro-4-methylphenyl)-3-phenylpiperidine
CID 106819222

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine?
The IUPAC name of 3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine (CID 79434183) is 3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine.
What is the SMILES notation for 3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine?
The canonical SMILES for 3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine is Clc1ccc(C2CNCCC2c2cccnc2)cc1.
What is the InChIKey of 3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine?
The InChIKey is YKDQJCIYGCXIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-14-5-3-12(4-6-14)16-11-19-9-7-15(16)13-2-1-8-18-10-13/h1-6,8,10,15-16,19H,7,9,11H2.
What are the key properties of 3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine?
3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine has a molecular weight of 272.78 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine is sourced from PubChem (CID 79434183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).