2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine

C23H25N3 — CID 95809141

IUPAC2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
SMILESCc1cccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1
InChIInChI=1S/C23H25N3/c1-18-5-2-6-20(15-18)22-8-3-9-23(25-22)21-7-4-14-26(17-21)16-19-10-12-24-13-11-19/h2-3,5-6,8-13,15,21H,4,7,14,16-17H2,1H3/t21-/m0/s1
InChIKeyGYUNEUBTDDNWIM-NRFANRHFSA-N
MW343.47 g/mol
LogP4.83
Rot. Bonds4

About 2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine

2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine (PubChem CID 95809141) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
PubChem CID95809141
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
SMILESCc1cccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1
InChIInChI=1S/C23H25N3/c1-18-5-2-6-20(15-18)22-8-3-9-23(25-22)21-7-4-14-26(17-21)16-19-10-12-24-13-11-19/h2-3,5-6,8-13,15,21H,4,7,14,16-17H2,1H3/t21-/m0/s1
InChIKeyGYUNEUBTDDNWIM-NRFANRHFSA-N
XLogP4.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809146
2-(3-methylphenyl)-6-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 110249816
2-ethyl-5-[[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]methyl]pyrimidine
CID 95810588
2-(3-methylphenyl)-6-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridine
CID 95810295
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
2-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 95810615
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
2-(2-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809144
2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809145
2-(2-methoxyphenyl)-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249357
2-[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809060
2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrazine
CID 110256923

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The IUPAC name of 2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine (CID 95809141) is 2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine.
What is the SMILES notation for 2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The canonical SMILES for 2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine is Cc1cccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
The InChIKey is GYUNEUBTDDNWIM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3/c1-18-5-2-6-20(15-18)22-8-3-9-23(25-22)21-7-4-14-26(17-21)16-19-10-12-24-13-11-19/h2-3,5-6,8-13,15,21H,4,7,14,16-17H2,1H3/t21-/m0/s1.
What are the key properties of 2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine?
2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine has a molecular weight of 343.47 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine is sourced from PubChem (CID 95809141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).