2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine

C23H30N2O — CID 110249875

IUPAC2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
SMILESCc1cccc(Cc2cccc(C3CCCN(C4CCOCC4)C3)n2)c1
InChIInChI=1S/C23H30N2O/c1-18-5-2-6-19(15-18)16-21-8-3-9-23(24-21)20-7-4-12-25(17-20)22-10-13-26-14-11-22/h2-3,5-6,8-9,15,20,22H,4,7,10-14,16-17H2,1H3
InChIKeyMQFIYNRMSUNOOU-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.34
Rot. Bonds4

About 2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine

2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine (PubChem CID 110249875) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
PubChem CID110249875
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine
SMILESCc1cccc(Cc2cccc(C3CCCN(C4CCOCC4)C3)n2)c1
InChIInChI=1S/C23H30N2O/c1-18-5-2-6-19(15-18)16-21-8-3-9-23(24-21)20-7-4-12-25(17-20)22-10-13-26-14-11-22/h2-3,5-6,8-9,15,20,22H,4,7,10-14,16-17H2,1H3
InChIKeyMQFIYNRMSUNOOU-UHFFFAOYSA-N
XLogP4.34
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.34
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
2-[(3-methylphenyl)methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 95809284
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
(3S)-N,N-dimethyl-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809648
2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810462
(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809016
2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 95841777
2-[(4-fluorophenyl)methyl]-6-[1-(oxan-4-yl)piperidin-4-yl]pyridine
CID 95810440
2-benzyl-6-[1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
CID 110254690
[2-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3R)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129454897
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine?
The IUPAC name of 2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine (CID 110249875) is 2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine is Cc1cccc(Cc2cccc(C3CCCN(C4CCOCC4)C3)n2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine?
The InChIKey is MQFIYNRMSUNOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18-5-2-6-19(15-18)16-21-8-3-9-23(24-21)20-7-4-12-25(17-20)22-10-13-26-14-11-22/h2-3,5-6,8-9,15,20,22H,4,7,10-14,16-17H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine?
2-[(3-methylphenyl)methyl]-6-[1-(oxan-4-yl)piperidin-3-yl]pyridine has a molecular weight of 350.51 g/mol, XLogP of 4.34, 4 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-[1-(oxan-4-yl)piperidin-3-yl]pyridine is sourced from PubChem (CID 110249875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).