3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine

C17H19ClN2 — CID 872932

IUPAC3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
SMILESClc1cccc(CN2CCCC[C@H]2c2cccnc2)c1
InChIInChI=1S/C17H19ClN2/c18-16-7-3-5-14(11-16)13-20-10-2-1-8-17(20)15-6-4-9-19-12-15/h3-7,9,11-12,17H,1-2,8,10,13H2/t17-/m0/s1
InChIKeyRUQHUOXKNMHQEF-KRWDZBQOSA-N
MW286.81 g/mol
LogP4.46
Rot. Bonds3

About 3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine

3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine (PubChem CID 872932) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
PubChem CID872932
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
SMILESClc1cccc(CN2CCCC[C@H]2c2cccnc2)c1
InChIInChI=1S/C17H19ClN2/c18-16-7-3-5-14(11-16)13-20-10-2-1-8-17(20)15-6-4-9-19-12-15/h3-7,9,11-12,17H,1-2,8,10,13H2/t17-/m0/s1
InChIKeyRUQHUOXKNMHQEF-KRWDZBQOSA-N
XLogP4.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
3-[(2R)-1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 95880993
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
3-[(2S)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]pyridine
CID 40533269
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 2857341
3-[(2R)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 1353857
2,4-diiodo-6-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenol
CID 2857406

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine (CID 872932) is 3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine is Clc1cccc(CN2CCCC[C@H]2c2cccnc2)c1.
What is the InChIKey of 3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine?
The InChIKey is RUQHUOXKNMHQEF-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-16-7-3-5-14(11-16)13-20-10-2-1-8-17(20)15-6-4-9-19-12-15/h3-7,9,11-12,17H,1-2,8,10,13H2/t17-/m0/s1.
What are the key properties of 3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine?
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine has a molecular weight of 286.81 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 872932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).