1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one

C15H22N2O2 — CID 89459236

IUPAC1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C15H22N2O2/c1-14(2,3)13(18)17-10-7-15(19,8-11-17)12-6-4-5-9-16-12/h4-6,9,19H,7-8,10-11H2,1-3H3
InChIKeyGOCDVHDKYYXBSR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.94
Rot. Bonds1

About 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one

1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 89459236) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID89459236
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(O)(c2ccccn2)CC1
InChIInChI=1S/C15H22N2O2/c1-14(2,3)13(18)17-10-7-15(19,8-11-17)12-6-4-5-9-16-12/h4-6,9,19H,7-8,10-11H2,1-3H3
InChIKeyGOCDVHDKYYXBSR-UHFFFAOYSA-N
XLogP1.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-(2,2-dimethylpropanoyl)-3-pyridin-2-ylpyrrolidin-3-yl]carbamate
CID 142662167
1-methanidyl-4-pyridin-2-ylpiperidin-4-ol
CID 21029924
2-(4-ethoxyphenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16668135
(2,4-difluorophenyl)-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 16668261
2,2-dimethyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 142910401
N,N-diethyl-2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 126468258
2-(2,4-dichlorophenyl)-1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)ethanone
CID 16674967
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
CID 67465657
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
[3-(2-fluorophenyl)phenyl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 131896204
tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111
3-[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
CID 45227876

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one (CID 89459236) is 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(O)(c2ccccn2)CC1.
What is the InChIKey of 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is GOCDVHDKYYXBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2,3)13(18)17-10-7-15(19,8-11-17)12-6-4-5-9-16-12/h4-6,9,19H,7-8,10-11H2,1-3H3.
What are the key properties of 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 89459236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).