3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one

C16H23NO2 — CID 55163333

IUPAC3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
SMILESCC(C)(CN1CCC(O)CC1)C(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2,12-17-10-8-14(18)9-11-17)15(19)13-6-4-3-5-7-13/h3-7,14,18H,8-12H2,1-2H3
InChIKeyBWCFSZMFCZSTKW-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.35
Rot. Bonds4

About 3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one

3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one (PubChem CID 55163333) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
PubChem CID55163333
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
SMILESCC(C)(CN1CCC(O)CC1)C(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2,12-17-10-8-14(18)9-11-17)15(19)13-6-4-3-5-7-13/h3-7,14,18H,8-12H2,1-2H3
InChIKeyBWCFSZMFCZSTKW-UHFFFAOYSA-N
XLogP2.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
The IUPAC name of 3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one (CID 55163333) is 3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one is CC(C)(CN1CCC(O)CC1)C(=O)c1ccccc1.
What is the InChIKey of 3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
The InChIKey is BWCFSZMFCZSTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,12-17-10-8-14(18)9-11-17)15(19)13-6-4-3-5-7-13/h3-7,14,18H,8-12H2,1-2H3.
What are the key properties of 3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one?
3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one has a molecular weight of 261.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one is sourced from PubChem (CID 55163333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).