1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one

C16H22ClNO2 — CID 12952367

IUPAC1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)CN2CCCCC2)cc1Cl
InChIInChI=1S/C16H22ClNO2/c1-12(11-18-8-4-3-5-9-18)16(19)13-6-7-15(20-2)14(17)10-13/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyPDLUCPFIWKXJRO-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.65
Rot. Bonds5

About 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one

1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one (PubChem CID 12952367) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
PubChem CID12952367
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)CN2CCCCC2)cc1Cl
InChIInChI=1S/C16H22ClNO2/c1-12(11-18-8-4-3-5-9-18)16(19)13-6-7-15(20-2)14(17)10-13/h6-7,10,12H,3-5,8-9,11H2,1-2H3
InChIKeyPDLUCPFIWKXJRO-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-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(6-chloronaphthalen-2-yl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 12952373
1-(3-chloro-4-methoxyphenyl)-2-piperidin-1-ylethanol
CID 82123734
1-(6-chloro-3-pyridinyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 10825696
1-(4-fluoro-3-methylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
CID 82122225
2-bromo-1-(3-chloro-4-methoxyphenyl)propan-1-one
CID 43144155
3-(azepan-1-yl)-2-methyl-1-phenylpropan-1-one
CID 2848399
(2S)-2-bromo-1-(3-chloro-4-methoxyphenyl)propan-1-one
CID 93257982
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 82120406
(2R)-1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
CID 76963739
3-(azepan-1-yl)-1-(3-chloro-4-propan-2-yloxyphenyl)propan-1-one
CID 82052934
2-amino-1-(3-chloro-4-methoxyphenyl)-3-hydroxypropan-1-one
CID 116920607

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one (CID 12952367) is 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one is COc1ccc(C(=O)C(C)CN2CCCCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
The InChIKey is PDLUCPFIWKXJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12(11-18-8-4-3-5-9-18)16(19)13-6-7-15(20-2)14(17)10-13/h6-7,10,12H,3-5,8-9,11H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one?
1-(3-chloro-4-methoxyphenyl)-2-methyl-3-piperidin-1-ylpropan-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)-2-methyl-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 12952367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).