1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone

C14H20N2O2 — CID 115276738

IUPAC1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
SMILESCC1(C)CCN(C(=O)Cc2ccccn2)CC1O
InChIInChI=1S/C14H20N2O2/c1-14(2)6-8-16(10-12(14)17)13(18)9-11-5-3-4-7-15-11/h3-5,7,12,17H,6,8-10H2,1-2H3
InChIKeyJTGZQVWHHZCPSD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.24
Rot. Bonds2

About 1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone

1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone (PubChem CID 115276738) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
PubChem CID115276738
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
SMILESCC1(C)CCN(C(=O)Cc2ccccn2)CC1O
InChIInChI=1S/C14H20N2O2/c1-14(2)6-8-16(10-12(14)17)13(18)9-11-5-3-4-7-15-11/h3-5,7,12,17H,6,8-10H2,1-2H3
InChIKeyJTGZQVWHHZCPSD-UHFFFAOYSA-N
XLogP1.24
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
CID 15055617
1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone
CID 131687605
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
CID 112534802
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
1-(3-amino-5-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 79993365
1-[4-[(1R)-2,2-dichlorocyclopropanecarbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 95769741
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 72904741
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 133133150

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone (CID 115276738) is 1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone is CC1(C)CCN(C(=O)Cc2ccccn2)CC1O.
What is the InChIKey of 1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone?
The InChIKey is JTGZQVWHHZCPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)6-8-16(10-12(14)17)13(18)9-11-5-3-4-7-15-11/h3-5,7,12,17H,6,8-10H2,1-2H3.
What are the key properties of 1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone?
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 115276738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).