(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

C19H22N2O — CID 130315704

IUPAC(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCCC2Cc2ccccn2)cc1
InChIInChI=1S/C19H22N2O/c1-15-8-10-16(11-9-15)19(22)21-13-5-3-7-18(21)14-17-6-2-4-12-20-17/h2,4,6,8-12,18H,3,5,7,13-14H2,1H3
InChIKeyRZGSIOXAUZLWQJ-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.63
Rot. Bonds3

About (4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 130315704) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID130315704
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCCCC2Cc2ccccn2)cc1
InChIInChI=1S/C19H22N2O/c1-15-8-10-16(11-9-15)19(22)21-13-5-3-7-18(21)14-17-6-2-4-12-20-17/h2,4,6,8-12,18H,3,5,7,13-14H2,1H3
InChIKeyRZGSIOXAUZLWQJ-UHFFFAOYSA-N
XLogP3.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 121451699
(4-tert-butylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 121450378
1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95842154
4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109047547
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932008
[4-(pyridin-2-ylmethoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11617548
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
(4-fluoro-3-hydroxyphenyl)-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932075
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[2-(2-aminooxyethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 82044979
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97148857

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (CID 130315704) is (4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCCCC2Cc2ccccn2)cc1.
What is the InChIKey of (4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is RZGSIOXAUZLWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-15-8-10-16(11-9-15)19(22)21-13-5-3-7-18(21)14-17-6-2-4-12-20-17/h2,4,6,8-12,18H,3,5,7,13-14H2,1H3.
What are the key properties of (4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 294.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 130315704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).