1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one

C15H20ClNO2 — CID 116562355

IUPAC1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one
SMILESCOc1cc(C(=O)CCC2CCCNC2)ccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-19-15-9-12(5-6-13(15)16)14(18)7-4-11-3-2-8-17-10-11/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyPDJBJQQWGFEYRS-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.31
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one

1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one (PubChem CID 116562355) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one
PubChem CID116562355
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one
SMILESCOc1cc(C(=O)CCC2CCCNC2)ccc1Cl
InChIInChI=1S/C15H20ClNO2/c1-19-15-9-12(5-6-13(15)16)14(18)7-4-11-3-2-8-17-10-11/h5-6,9,11,17H,2-4,7-8,10H2,1H3
InChIKeyPDJBJQQWGFEYRS-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116560958
3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
CID 114192912
1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
CID 116571152
1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562391
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
1-(4-chloro-3-methoxyphenyl)pentan-1-one
CID 79701046
1-(4-chloro-3-ethylphenyl)-3-cyclopentylpropan-1-one
CID 146008352
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
CID 119558430
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-piperidin-3-ylpropan-1-one
CID 114668828

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one (CID 116562355) is 1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one is COc1cc(C(=O)CCC2CCCNC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one?
The InChIKey is PDJBJQQWGFEYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-19-15-9-12(5-6-13(15)16)14(18)7-4-11-3-2-8-17-10-11/h5-6,9,11,17H,2-4,7-8,10H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one?
1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one has a molecular weight of 281.78 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-piperidin-3-ylpropan-1-one is sourced from PubChem (CID 116562355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).