3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine

C16H17ClN2 — CID 79454588

IUPAC3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine
SMILESClc1ccccc1C1CNCCC1c1cccnc1
InChIInChI=1S/C16H17ClN2/c17-16-6-2-1-5-14(16)15-11-19-9-7-13(15)12-4-3-8-18-10-12/h1-6,8,10,13,15,19H,7,9,11H2
InChIKeyRRZKYFPZIMMGSK-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.60
Rot. Bonds2

About 3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine

3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine (PubChem CID 79454588) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine
PubChem CID79454588
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine
SMILESClc1ccccc1C1CNCCC1c1cccnc1
InChIInChI=1S/C16H17ClN2/c17-16-6-2-1-5-14(16)15-11-19-9-7-13(15)12-4-3-8-18-10-12/h1-6,8,10,13,15,19H,7,9,11H2
InChIKeyRRZKYFPZIMMGSK-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-chlorophenyl)piperidin-4-yl]pyridine
CID 79434183
3-(2-chlorophenyl)-4-(3,5-dichlorophenyl)piperidine
CID 79439665
3-[3-(4-methylphenyl)piperidin-4-yl]pyridine
CID 79441307
4-(3-chloro-5-fluorophenyl)-3-(2-chlorophenyl)piperidine
CID 114455081
4-(2-chlorophenyl)-3-(4-fluorophenyl)piperidine
CID 79435303
3-pyrrolidin-3-ylpyridine
CID 3613651
3-(3-bromophenyl)-4-(2-chlorophenyl)piperidine
CID 79430057
3-(2-chlorophenyl)-4-(2-ethylphenyl)piperidine
CID 79439447
3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
CID 129493270
9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane
CID 57485548
3-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
CID 129493269
5-[3-(2-bromophenyl)piperidin-4-yl]-2-methylpyridine
CID 104824052

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine?
The IUPAC name of 3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine (CID 79454588) is 3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine.
What is the SMILES notation for 3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine?
The canonical SMILES for 3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine is Clc1ccccc1C1CNCCC1c1cccnc1.
What is the InChIKey of 3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine?
The InChIKey is RRZKYFPZIMMGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-16-6-2-1-5-14(16)15-11-19-9-7-13(15)12-4-3-8-18-10-12/h1-6,8,10,13,15,19H,7,9,11H2.
What are the key properties of 3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine?
3-[3-(2-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-(2-chlorophenyl)piperidin-4-yl]pyridine is sourced from PubChem (CID 79454588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).