(4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone

C19H22N2O2 — CID 86680849

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
SMILESCc1ccc(-c2ccncc2)c(C(=O)N2CCC(C)(O)CC2)c1
InChIInChI=1S/C19H22N2O2/c1-14-3-4-16(15-5-9-20-10-6-15)17(13-14)18(22)21-11-7-19(2,23)8-12-21/h3-6,9-10,13,23H,7-8,11-12H2,1-2H3
InChIKeyJCKHGGZEVRLTDR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.04
Rot. Bonds2

About (4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone (PubChem CID 86680849) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
PubChem CID86680849
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone
SMILESCc1ccc(-c2ccncc2)c(C(=O)N2CCC(C)(O)CC2)c1
InChIInChI=1S/C19H22N2O2/c1-14-3-4-16(15-5-9-20-10-6-15)17(13-14)18(22)21-11-7-19(2,23)8-12-21/h3-6,9-10,13,23H,7-8,11-12H2,1-2H3
InChIKeyJCKHGGZEVRLTDR-UHFFFAOYSA-N
XLogP3.04
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 70215265
(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107408587
(4-chloro-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81232947
(5-fluoro-2-pyridin-4-ylphenyl)-[4-hydroxy-4-[(4-isocyanophenyl)methyl]piperidin-1-yl]methanone
CID 123254660
(4-amino-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81255698
(5-chloro-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115532894
(2-hydrazinyl-5-methylphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358333
(4,4-dimethylpiperidin-1-yl)-(2-iodo-5-methylphenyl)methanone
CID 172648482
1-(2-bromo-5-methylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 81110057
[4-(2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808553
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103134

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone (CID 86680849) is (4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone is Cc1ccc(-c2ccncc2)c(C(=O)N2CCC(C)(O)CC2)c1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
The InChIKey is JCKHGGZEVRLTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-3-4-16(15-5-9-20-10-6-15)17(13-14)18(22)21-11-7-19(2,23)8-12-21/h3-6,9-10,13,23H,7-8,11-12H2,1-2H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(5-methyl-2-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 86680849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).