1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one

C17H25NO3 — CID 82073848

IUPAC1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one
SMILESCC(C)Oc1ccc(C(O)CCN2CCC(=O)CC2)cc1
InChIInChI=1S/C17H25NO3/c1-13(2)21-16-5-3-14(4-6-16)17(20)9-12-18-10-7-15(19)8-11-18/h3-6,13,17,20H,7-12H2,1-2H3
InChIKeyWLYSJXLPYFIDMW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.56
Rot. Bonds6

About 1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one

1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one (PubChem CID 82073848) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one
PubChem CID82073848
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one
SMILESCC(C)Oc1ccc(C(O)CCN2CCC(=O)CC2)cc1
InChIInChI=1S/C17H25NO3/c1-13(2)21-16-5-3-14(4-6-16)17(20)9-12-18-10-7-15(19)8-11-18/h3-6,13,17,20H,7-12H2,1-2H3
InChIKeyWLYSJXLPYFIDMW-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one 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-chlorophenyl)-3-hydroxypropyl]piperidin-4-one
CID 82073439
1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 22486858
1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62492213
(5S)-5-hydroxy-5-(4-propan-2-yloxyphenyl)pentanoic acid
CID 28945621
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
1-[2-(4-propan-2-yloxyphenyl)acetyl]piperidin-4-one
CID 98019320
3-morpholin-4-yl-1-(4-propan-2-ylphenyl)propan-1-ol
CID 82105505
1-[2,4-di(propan-2-yloxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 82263741
1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
CID 112510765
1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 82073802
1-ethyl-2-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 109493467
2-cyclopentyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 61086888

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one?
The IUPAC name of 1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one (CID 82073848) is 1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one.
What is the SMILES notation for 1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one?
The canonical SMILES for 1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one is CC(C)Oc1ccc(C(O)CCN2CCC(=O)CC2)cc1.
What is the InChIKey of 1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one?
The InChIKey is WLYSJXLPYFIDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)21-16-5-3-14(4-6-16)17(20)9-12-18-10-7-15(19)8-11-18/h3-6,13,17,20H,7-12H2,1-2H3.
What are the key properties of 1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one?
1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one has a molecular weight of 291.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(4-propan-2-yloxyphenyl)propyl]piperidin-4-one is sourced from PubChem (CID 82073848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).