(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone

C19H22N2O4 — CID 16668120

IUPAC(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(O)(c3cccnc3)CC2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-24-16-6-5-14(12-17(16)25-2)18(22)21-10-7-19(23,8-11-21)15-4-3-9-20-13-15/h3-6,9,12-13,23H,7-8,10-11H2,1-2H3
InChIKeyJCGNOBDMZOJHOI-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.22
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone

(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 16668120) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID16668120
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(O)(c3cccnc3)CC2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-24-16-6-5-14(12-17(16)25-2)18(22)21-10-7-19(23,8-11-21)15-4-3-9-20-13-15/h3-6,9,12-13,23H,7-8,10-11H2,1-2H3
InChIKeyJCGNOBDMZOJHOI-UHFFFAOYSA-N
XLogP2.22
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406157
[2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 72837169
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
(3-fluoro-4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808459
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343
1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 77094509

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone (CID 16668120) is (3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(O)(c3cccnc3)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is JCGNOBDMZOJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-16-6-5-14(12-17(16)25-2)18(22)21-10-7-19(23,8-11-21)15-4-3-9-20-13-15/h3-6,9,12-13,23H,7-8,10-11H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 16668120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).