2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone

C14H19ClN2O2 — CID 62535016

IUPAC2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCCN(C(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O2/c1-16-12-3-2-8-17(9-12)14(18)10-19-13-6-4-11(15)5-7-13/h4-7,12,16H,2-3,8-10H2,1H3
InChIKeyZCGXSJDJNMZTSB-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.93
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone (PubChem CID 62535016) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
PubChem CID62535016
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCCN(C(=O)COc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O2/c1-16-12-3-2-8-17(9-12)14(18)10-19-13-6-4-11(15)5-7-13/h4-7,12,16H,2-3,8-10H2,1H3
InChIKeyZCGXSJDJNMZTSB-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535582
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124575482
2-(4-chlorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 63263451
2-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124574816
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 5017264
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
1-[3-(methylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119492518
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 121146535
2-(4-chlorophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 91776713
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenoxy)ethanone;hydrochloride
CID 119934376
2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone
CID 46028843

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone (CID 62535016) is 2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone is CNC1CCCN(C(=O)COc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is ZCGXSJDJNMZTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16-12-3-2-8-17(9-12)14(18)10-19-13-6-4-11(15)5-7-13/h4-7,12,16H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 282.77 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 62535016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).