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

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Related Compounds

3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 63196246
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 81103968
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 65324305
3-(4-hydroxy-4-methylazepan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 107408621
3-(7,7-dimethyl-1,4-thiazepan-4-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 107459278
3-(3-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethyl-N-phenylpropanamide
CID 102960001
1-[2-methyl-2-phenyl-3-(propan-2-ylamino)propyl]piperidin-4-ol
CID 62261469
1-(2-hydroxy-2-methylpropyl)piperidin-4-ol
CID 60886320
methyl 3,3-dimethyl-4-oxo-4-phenylbutanoate
CID 57437539
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
2,2-dimethyl-3-[methyl-(4-methylcyclohexyl)amino]-1-phenylpropan-1-one
CID 63482293
1-(2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 62373973

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).