1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one

C15H20ClNO2 — CID 93223488

IUPAC1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](OCc2ccccc2Cl)C1
InChIInChI=1S/C15H20ClNO2/c1-2-15(18)17-9-5-7-13(10-17)19-11-12-6-3-4-8-14(12)16/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1
InChIKeyQCMMMGMIHKOTSU-ZDUSSCGKSA-N
MW281.78 g/mol
LogP3.26
Rot. Bonds4

About 1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one

1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one (PubChem CID 93223488) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
PubChem CID93223488
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](OCc2ccccc2Cl)C1
InChIInChI=1S/C15H20ClNO2/c1-2-15(18)17-9-5-7-13(10-17)19-11-12-6-3-4-8-14(12)16/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1
InChIKeyQCMMMGMIHKOTSU-ZDUSSCGKSA-N
XLogP3.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone
CID 46028843
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 72840326
[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46028836
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
1-[3-(2-phenoxyethoxy)piperidin-1-yl]propan-1-one
CID 42844214
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 93223160
3-[(2-chlorophenyl)methoxy]-1-propan-2-ylsulfonylpiperidine
CID 46743856
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 47735745
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one (CID 93223488) is 1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@H](OCc2ccccc2Cl)C1.
What is the InChIKey of 1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one?
The InChIKey is QCMMMGMIHKOTSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-15(18)17-9-5-7-13(10-17)19-11-12-6-3-4-8-14(12)16/h3-4,6,8,13H,2,5,7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one?
1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one has a molecular weight of 281.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 93223488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).