1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one

C16H22ClNO2 — CID 82052845

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCN2CCC(C)CC2)cc1Cl
InChIInChI=1S/C16H22ClNO2/c1-12-5-8-18(9-6-12)10-7-15(19)13-3-4-16(20-2)14(17)11-13/h3-4,11-12H,5-10H2,1-2H3
InChIKeyWHBQSJQZVXXALD-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.65
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one

1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 82052845) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID82052845
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOc1ccc(C(=O)CCN2CCC(C)CC2)cc1Cl
InChIInChI=1S/C16H22ClNO2/c1-12-5-8-18(9-6-12)10-7-15(19)13-3-4-16(20-2)14(17)11-13/h3-4,11-12H,5-10H2,1-2H3
InChIKeyWHBQSJQZVXXALD-UHFFFAOYSA-N
XLogP3.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052898
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
(3-chloro-4-methoxyphenyl)-(4-methylpiperidin-1-yl)methanethione
CID 3577905
2-methoxy-5-[2-(4-methylpiperidin-1-yl)acetyl]benzoic acid
CID 82052341
3-(azepan-1-yl)-1-(3-chloro-4-propan-2-yloxyphenyl)propan-1-one
CID 82052934
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228414
1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82064904
1-(3-chloro-4-methoxyphenyl)-2-morpholin-4-ylethanone
CID 43227712
1-(3-chloro-4-methoxyphenyl)-3-methylsulfanylpropan-1-one
CID 116830849
1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 93194083

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one (CID 82052845) is 1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one is COc1ccc(C(=O)CCN2CCC(C)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is WHBQSJQZVXXALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12-5-8-18(9-6-12)10-7-15(19)13-3-4-16(20-2)14(17)11-13/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one?
1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 295.81 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 82052845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).