3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one

C19H28ClNO2 — CID 126801904

IUPAC3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCCCC1(O)CCN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClNO2/c1-4-8-19(23)9-11-21(12-10-19)17(22)18(2,3)14-15-6-5-7-16(20)13-15/h5-7,13,23H,4,8-12,14H2,1-3H3
InChIKeyVZDRZBJIZGPITK-UHFFFAOYSA-N
MW337.89 g/mol
LogP4.06
Rot. Bonds5

About 3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one

3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 126801904) has the molecular formula C19H28ClNO2 and a molecular weight of 337.89 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID126801904
Molecular FormulaC19H28ClNO2
Molecular Weight337.89 g/mol
Exact Mass337.18
IUPAC Name3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCCCC1(O)CCN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H28ClNO2/c1-4-8-19(23)9-11-21(12-10-19)17(22)18(2,3)14-15-6-5-7-16(20)13-15/h5-7,13,23H,4,8-12,14H2,1-3H3
InChIKeyVZDRZBJIZGPITK-UHFFFAOYSA-N
XLogP4.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-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

Related Compounds

3-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119645185
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-chlorophenyl)-2,2-dimethylpropan-1-one
CID 120818145
3-(3-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2,2-dimethylpropan-1-one
CID 119635982
tert-butyl 3-[(3-chlorophenyl)methyl]-3-hydroxypyrrolidine-1-carboxylate
CID 71757706
(3S,4S)-1-[3-(3-chlorophenyl)-2,2-dimethylpropanoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950081
3-(3-chlorophenyl)-N-[[(3S)-3-hydroxythiolan-3-yl]methyl]-2,2-dimethylpropanamide
CID 97028633
tert-butyl 4-amino-4-[(3-chlorophenyl)methyl]piperidine-1-carboxylate
CID 86276713
2-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119832630
4-[(3-chlorophenyl)methyl]-1-propylazepan-4-ol
CID 65077956
3-(3-methoxyphenyl)-2,2-dimethyl-1-piperazin-1-ylpropan-1-one
CID 95479218
3-[[3-(3-chlorophenyl)-2,2-dimethylpropanoyl]amino]butanoic acid
CID 119347933
2-(3-chlorophenyl)-1-(4,4-dimethoxypiperidin-1-yl)ethanone
CID 112534858

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one (CID 126801904) is 3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one is CCCC1(O)CCN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is VZDRZBJIZGPITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClNO2/c1-4-8-19(23)9-11-21(12-10-19)17(22)18(2,3)14-15-6-5-7-16(20)13-15/h5-7,13,23H,4,8-12,14H2,1-3H3.
What are the key properties of 3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one?
3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 337.89 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(4-hydroxy-4-propylpiperidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 126801904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).