(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone

C15H20ClNO2 — CID 83055938

IUPAC(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-2-5-12-6-3-4-9-17(12)15(19)11-7-8-14(18)13(16)10-11/h7-8,10,12,18H,2-6,9H2,1H3
InChIKeyUSSXFYFVFTXAAP-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.84
Rot. Bonds3

About (3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone

(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone (PubChem CID 83055938) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
PubChem CID83055938
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
SMILESCCCC1CCCCN1C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H20ClNO2/c1-2-5-12-6-3-4-9-17(12)15(19)11-7-8-14(18)13(16)10-11/h7-8,10,12,18H,2-6,9H2,1H3
InChIKeyUSSXFYFVFTXAAP-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone 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-[1-(3-chloro-4-hydroxybenzoyl)piperidin-2-yl]propan-2-one
CID 79549622
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107689544
(2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061829
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
[2-(bromomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 80659471
2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid
CID 136546901
[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83053387
(3,4-dihydroxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103956460
(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
CID 142034272

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone (CID 83055938) is (3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone is CCCC1CCCCN1C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone?
The InChIKey is USSXFYFVFTXAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-5-12-6-3-4-9-17(12)15(19)11-7-8-14(18)13(16)10-11/h7-8,10,12,18H,2-6,9H2,1H3.
What are the key properties of (3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone?
(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone has a molecular weight of 281.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 83055938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).