2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine

C23H30N2O — CID 142906227

IUPAC2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine
SMILESCOc1cc(-c2cc(CN3CCC(C)CC3)ccn2)cc(C2CC2)c1C
InChIInChI=1S/C23H30N2O/c1-16-7-10-25(11-8-16)15-18-6-9-24-22(12-18)20-13-21(19-4-5-19)17(2)23(14-20)26-3/h6,9,12-14,16,19H,4-5,7-8,10-11,15H2,1-3H3
InChIKeyLSAUWWHQFRJERX-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.17
Rot. Bonds5

About 2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine

2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine (PubChem CID 142906227) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine
PubChem CID142906227
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine
SMILESCOc1cc(-c2cc(CN3CCC(C)CC3)ccn2)cc(C2CC2)c1C
InChIInChI=1S/C23H30N2O/c1-16-7-10-25(11-8-16)15-18-6-9-24-22(12-18)20-13-21(19-4-5-19)17(2)23(14-20)26-3/h6,9,12-14,16,19H,4-5,7-8,10-11,15H2,1-3H3
InChIKeyLSAUWWHQFRJERX-UHFFFAOYSA-N
XLogP5.17
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine
CID 21338831
N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclobutyl-5-methoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-(3,5-dimethoxyphenyl)piperidin-4-amine
CID 142906198
N-benzyl-1-[[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906223
1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine
CID 22557933
N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]-1-[[2-(3-cyclopropyl-5-methoxy-4-propylphenyl)-4-pyridinyl]methyl]-N-phenylpiperidin-4-amine
CID 142218021
4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride
CID 141070239
(3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine
CID 12043144
5-[4-[[4-[N-[[2-(3-cyclobutyl-4,5-dimethoxyphenyl)-4-pyridinyl]methyl]anilino]piperidin-1-yl]methyl]-2-pyridinyl]-3-cyclopropylbenzene-1,2-diol
CID 142818250
(3S)-N-methyl-N,1-bis[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine;tetrahydrochloride
CID 68918610
ethane;1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-one
CID 142818332
3-cyclobutyl-5-[4-[[4-[N-[[2-(3-cyclobutyl-4,5-dihydroxyphenyl)-4-pyridinyl]methyl]-2,3-dimethoxyanilino]piperidin-1-yl]methyl]-2-pyridinyl]benzene-1,2-diol
CID 142818290
ethane;3-methoxy-5-[4-[[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methyl]-2-pyridinyl]benzene-1,2-diol
CID 142882142

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine (CID 142906227) is 2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine is COc1cc(-c2cc(CN3CCC(C)CC3)ccn2)cc(C2CC2)c1C.
What is the InChIKey of 2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine?
The InChIKey is LSAUWWHQFRJERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-16-7-10-25(11-8-16)15-18-6-9-24-22(12-18)20-13-21(19-4-5-19)17(2)23(14-20)26-3/h6,9,12-14,16,19H,4-5,7-8,10-11,15H2,1-3H3.
What are the key properties of 2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine?
2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine has a molecular weight of 350.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 142906227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).