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

C18H22N2 — CID 95861552

IUPAC4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
SMILESCc1cccc([C@@H]2CCCN(Cc3ccncc3)C2)c1
InChIInChI=1S/C18H22N2/c1-15-4-2-5-17(12-15)18-6-3-11-20(14-18)13-16-7-9-19-10-8-16/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3/t18-/m1/s1
InChIKeyUJUBEEHXJIZKFN-GOSISDBHSA-N
MW266.39 g/mol
LogP3.77
Rot. Bonds3

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

4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine (PubChem CID 95861552) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
PubChem CID95861552
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
SMILESCc1cccc([C@@H]2CCCN(Cc3ccncc3)C2)c1
InChIInChI=1S/C18H22N2/c1-15-4-2-5-17(12-15)18-6-3-11-20(14-18)13-16-7-9-19-10-8-16/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3/t18-/m1/s1
InChIKeyUJUBEEHXJIZKFN-GOSISDBHSA-N
XLogP3.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
2-(3-methylphenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809141
(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methylphenyl)piperidine
CID 99939381
2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 77089209
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353
4-[[(3R)-3-pyridin-4-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 129345169
3-(3-methylphenyl)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidine
CID 131922870
4-methoxy-3-[[3-(3-methylphenyl)piperidin-1-yl]methyl]phenol
CID 131924193
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine (CID 95861552) is 4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine is Cc1cccc([C@@H]2CCCN(Cc3ccncc3)C2)c1.
What is the InChIKey of 4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is UJUBEEHXJIZKFN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N2/c1-15-4-2-5-17(12-15)18-6-3-11-20(14-18)13-16-7-9-19-10-8-16/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3/t18-/m1/s1.
What are the key properties of 4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine?
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 266.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 95861552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).