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

C15H20ClNO2 — CID 93223396

IUPAC1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](OCc2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO2/c1-2-15(18)17-8-4-7-14(10-17)19-11-12-5-3-6-13(16)9-12/h3,5-6,9,14H,2,4,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyNEWVJRDHXYYVOM-AWEZNQCLSA-N
MW281.78 g/mol
LogP3.26
Rot. Bonds4

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

1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one (PubChem CID 93223396) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
PubChem CID93223396
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](OCc2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClNO2/c1-2-15(18)17-8-4-7-14(10-17)19-11-12-5-3-6-13(16)9-12/h3,5-6,9,14H,2,4,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyNEWVJRDHXYYVOM-AWEZNQCLSA-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

(3-chlorophenyl)-[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028796
(2-chlorophenyl)-[(3R)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223391
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783
1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223488
2-(4-chlorophenoxy)-1-[(3S)-3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]ethanone
CID 93223599
(3R)-N-(3-chlorophenyl)-3-[(3-fluorophenyl)methoxy]piperidine-1-carboxamide
CID 93224006
2-(4-chlorophenoxy)-1-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42844150
(3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 42656405
2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223656
2-methoxy-1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223657
1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]propan-1-one
CID 53034672
(3S)-3-[(4-bromophenyl)methoxy]-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 93224012

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one (CID 93223396) is 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@H](OCc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one?
The InChIKey is NEWVJRDHXYYVOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-15(18)17-8-4-7-14(10-17)19-11-12-5-3-6-13(16)9-12/h3,5-6,9,14H,2,4,7-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one?
1-[(3S)-3-[(3-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-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 93223396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).