1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

C19H21ClN2O2 — CID 99836237

IUPAC1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(O)(c3ccccc3Cl)CC2)cn1
InChIInChI=1S/C19H21ClN2O2/c1-14-6-7-15(13-21-14)12-18(23)22-10-8-19(24,9-11-22)16-4-2-3-5-17(16)20/h2-7,13,24H,8-12H2,1H3
InChIKeyMKAXPDMKMCJIGF-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.10
Rot. Bonds3

About 1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone

1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (PubChem CID 99836237) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
PubChem CID99836237
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(O)(c3ccccc3Cl)CC2)cn1
InChIInChI=1S/C19H21ClN2O2/c1-14-6-7-15(13-21-14)12-18(23)22-10-8-19(24,9-11-22)16-4-2-3-5-17(16)20/h2-7,13,24H,8-12H2,1H3
InChIKeyMKAXPDMKMCJIGF-UHFFFAOYSA-N
XLogP3.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-Hydroxy-3,3-diphenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 9889462
[4-(3-Hydroxy-3-phenyl-butyryl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
CID 10474804
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-pyridin-2-yl-pentanenitrile
CID 10737864
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 57889158
N-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-pyridin-4-ylacetamide
CID 57889764
1-(3-Chlorophenyl)-1-methyl-2-phenyl-2-(2-pyridine)ethanol
CID 31034
N-[4-[4-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-2-methyl-4-oxobutan-2-yl]benzamide
CID 59444266
2-Chloro-N-[[4,4-difluoro-1-[6-(1-hydroxy-1-methyl-ethyl)-3-pyridyl]cyclohexyl]methyl]benzamide
CID 86716318
(E)-1-(4-(4-(3-chloro-5-(1-hydroxy-2-methyl-1-(pyridin-3-yl)propyl)styryl)phenyl)piperazin-1-yl)ethanone
CID 122439262
1-(4'-Hydroxy-3',4',5',6'-tetrahydro-2'H-[3,4']bipyridinyl-1'-yl)-2-phenyl-ethanone
CID 1446476
(2-Chlorophenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 1446483
3-(2-chloro-6-fluorobenzyl)-4-hydroxy-1-[2-(2-pyridinyl)ethyl]-2(1H)-pyridinone
CID 54696632

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone (CID 99836237) is 1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is Cc1ccc(CC(=O)N2CCC(O)(c3ccccc3Cl)CC2)cn1.
What is the InChIKey of 1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is MKAXPDMKMCJIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-6-7-15(13-21-14)12-18(23)22-10-8-19(24,9-11-22)16-4-2-3-5-17(16)20/h2-7,13,24H,8-12H2,1H3.
What are the key properties of 1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone?
1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 344.84 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 99836237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).