2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one

C15H20ClNO2 — CID 53286449

IUPAC2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H20ClNO2/c1-2-14(15(18)17-10-4-3-5-11-17)19-13-8-6-12(16)7-9-13/h6-9,14H,2-5,10-11H2,1H3
InChIKeyYEZBZOYHTATSSV-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.51
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one

2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one (PubChem CID 53286449) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one
PubChem CID53286449
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one
SMILESCCC(Oc1ccc(Cl)cc1)C(=O)N1CCCCC1
InChIInChI=1S/C15H20ClNO2/c1-2-14(15(18)17-10-4-3-5-11-17)19-13-8-6-12(16)7-9-13/h6-9,14H,2-5,10-11H2,1H3
InChIKeyYEZBZOYHTATSSV-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)butan-1-one
CID 9172627
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-chlorophenoxy)butan-1-one
CID 132667026
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(4-methylphenoxy)butan-1-one
CID 9180724
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 93488066
ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate
CID 43875370
4-[(2R)-2-(4-fluorophenoxy)butanoyl]piperazine-1-carbaldehyde
CID 93487859
(2S)-2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]butan-1-one
CID 28579047
(2S)-1-(3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 92646146
methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate
CID 132651627
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)butan-1-one
CID 21472286

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one (CID 53286449) is 2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one is CCC(Oc1ccc(Cl)cc1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one?
The InChIKey is YEZBZOYHTATSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-14(15(18)17-10-4-3-5-11-17)19-13-8-6-12(16)7-9-13/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one?
2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one has a molecular weight of 281.78 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 53286449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).