1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone

C14H19NO2 — CID 57060479

IUPAC1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone
SMILESCC(=O)C1CN(c2ccccc2)CCC1(C)O
InChIInChI=1S/C14H19NO2/c1-11(16)13-10-15(9-8-14(13,2)17)12-6-4-3-5-7-12/h3-7,13,17H,8-10H2,1-2H3
InChIKeyLCPSYZLTDPHZJJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds2

About 1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone

1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone (PubChem CID 57060479) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone
PubChem CID57060479
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone
SMILESCC(=O)C1CN(c2ccccc2)CCC1(C)O
InChIInChI=1S/C14H19NO2/c1-11(16)13-10-15(9-8-14(13,2)17)12-6-4-3-5-7-12/h3-7,13,17H,8-10H2,1-2H3
InChIKeyLCPSYZLTDPHZJJ-UHFFFAOYSA-N
XLogP1.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,4S)-1-benzyl-4-hydroxy-4-methylpiperidin-3-yl]ethanone
CID 54122548
1-(3-fluorophenyl)-4,4-dimethylpiperidine-3-carboxylic acid
CID 117025508
3-acetyl-1-phenylpiperidin-4-one
CID 139710705
1-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone
CID 126559698
(3S,4S)-3,4-dimethyl-1-phenylpyrrolidin-3-ol
CID 11745454
(4,4-dimethyl-1-phenylpiperidin-3-yl)methanamine
CID 117025761
1-phenylpyrrolidin-3-ol
CID 11171152
4-cyclopropyl-1-phenylpiperidin-4-ol
CID 106820783
1-phenyl-4-propan-2-ylpiperidin-4-ol
CID 106820875
4-methoxy-1-phenylpiperidine-4-carboxylic acid
CID 106821204
[(3S)-1-phenylpyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;propan-2-one
CID 143211663
1-acetyl-4-[(4-hydroxy-1-phenylpiperidin-4-yl)methyl]-1,4-diazepane-6-carboxylic acid
CID 132771183

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone?
The IUPAC name of 1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone (CID 57060479) is 1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone is CC(=O)C1CN(c2ccccc2)CCC1(C)O.
What is the InChIKey of 1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone?
The InChIKey is LCPSYZLTDPHZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)13-10-15(9-8-14(13,2)17)12-6-4-3-5-7-12/h3-7,13,17H,8-10H2,1-2H3.
What are the key properties of 1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone?
1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone is sourced from PubChem (CID 57060479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).