2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine

C24H27N3 — CID 95809284

IUPAC2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
SMILESCc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1
InChIInChI=1S/C24H27N3/c1-19-7-4-8-20(15-19)16-22-11-5-12-24(26-22)21-9-6-14-27(17-21)18-23-10-2-3-13-25-23/h2-5,7-8,10-13,15,21H,6,9,14,16-18H2,1H3/t21-/m0/s1
InChIKeyRVGUDWXUKDQVCZ-NRFANRHFSA-N
MW357.50 g/mol
LogP4.76
Rot. Bonds5

About 2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine

2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine (PubChem CID 95809284) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
PubChem CID95809284
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
SMILESCc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1
InChIInChI=1S/C24H27N3/c1-19-7-4-8-20(15-19)16-22-11-5-12-24(26-22)21-9-6-14-27(17-21)18-23-10-2-3-13-25-23/h2-5,7-8,10-13,15,21H,6,9,14,16-18H2,1H3/t21-/m0/s1
InChIKeyRVGUDWXUKDQVCZ-NRFANRHFSA-N
XLogP4.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110254401
cyclopentyl-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809983
cyclobutyl-[3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110249572
2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 110249875
(3S)-N,N-dimethyl-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809648
2-[(3-fluorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249363
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809167
2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810462
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809205
2-[(3-fluorophenyl)methyl]-6-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 95809203
(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809016
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129454897

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine?
The IUPAC name of 2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine (CID 95809284) is 2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine is Cc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine?
The InChIKey is RVGUDWXUKDQVCZ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N3/c1-19-7-4-8-20(15-19)16-22-11-5-12-24(26-22)21-9-6-14-27(17-21)18-23-10-2-3-13-25-23/h2-5,7-8,10-13,15,21H,6,9,14,16-18H2,1H3/t21-/m0/s1.
What are the key properties of 2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine?
2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine has a molecular weight of 357.50 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 95809284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).