3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine

C18H22N2O — CID 872941

IUPAC3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1
InChIInChI=1S/C18H22N2O/c1-21-17-9-7-15(8-10-17)14-20-12-3-2-6-18(20)16-5-4-11-19-13-16/h4-5,7-11,13,18H,2-3,6,12,14H2,1H3/t18-/m0/s1
InChIKeyDQVHMLVFTJQPBH-SFHVURJKSA-N
MW282.39 g/mol
LogP3.82
Rot. Bonds4

About 3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine

3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine (PubChem CID 872941) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
PubChem CID872941
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1
InChIInChI=1S/C18H22N2O/c1-21-17-9-7-15(8-10-17)14-20-12-3-2-6-18(20)16-5-4-11-19-13-16/h4-5,7-11,13,18H,2-3,6,12,14H2,1H3/t18-/m0/s1
InChIKeyDQVHMLVFTJQPBH-SFHVURJKSA-N
XLogP3.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
3-[(2S)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]pyridine
CID 40533269
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
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-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
(3S)-1-(4-methoxyphenyl)-3-methyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-yl]hex-4-yn-3-ol
CID 11871006
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine (CID 872941) is 3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine is COc1ccc(CN2CCCC[C@H]2c2cccnc2)cc1.
What is the InChIKey of 3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine?
The InChIKey is DQVHMLVFTJQPBH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O/c1-21-17-9-7-15(8-10-17)14-20-12-3-2-6-18(20)16-5-4-11-19-13-16/h4-5,7-11,13,18H,2-3,6,12,14H2,1H3/t18-/m0/s1.
What are the key properties of 3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine?
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine has a molecular weight of 282.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 872941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).