1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone

C13H16ClNO2 — CID 20735197

IUPAC1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(OC2CCNCC2)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-9(16)10-2-3-13(12(14)8-10)17-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7H2,1H3
InChIKeyCEHRKRLESCFUNH-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.67
Rot. Bonds3

About 1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone

1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone (PubChem CID 20735197) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone
PubChem CID20735197
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone
SMILESCC(=O)c1ccc(OC2CCNCC2)c(Cl)c1
InChIInChI=1S/C13H16ClNO2/c1-9(16)10-2-3-13(12(14)8-10)17-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7H2,1H3
InChIKeyCEHRKRLESCFUNH-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;4-(2-chlorophenoxy)piperidine
CID 23722971
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
ethyl 2-(3-chloro-4-cyclopropyloxyphenyl)-2-oxoacetate
CID 117425135
4-(2,4,5-trichlorophenoxy)piperidine;hydrochloride
CID 53409861
4-[4-[(2S)-butan-2-yl]-2-chlorophenoxy]piperidine
CID 86322273
2-chloro-6-piperidin-4-yloxybenzamide
CID 62497560
3-chloro-4-cyclopropyloxybenzoic acid;ethyl 3-chloro-4-cyclopropyloxybenzoate
CID 161018051
4-(4-chloro-2-ethylphenoxy)piperidine
CID 22397478
3-chloro-4-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005380
1-[3-chloro-4-(2,4-dichlorophenoxy)phenyl]ethanone
CID 63532509
(3R)-3-(2-chloro-4-methoxyphenoxy)pyrrolidine
CID 86322342
3-amino-1-(3-chloro-4-cyclopentyloxyphenyl)propan-1-one
CID 117423149

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone (CID 20735197) is 1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone is CC(=O)c1ccc(OC2CCNCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone?
The InChIKey is CEHRKRLESCFUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-9(16)10-2-3-13(12(14)8-10)17-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7H2,1H3.
What are the key properties of 1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone?
1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone has a molecular weight of 253.73 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-piperidin-4-yloxyphenyl)ethanone is sourced from PubChem (CID 20735197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).