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

C14H19ClN2O2 — CID 62535582

IUPAC2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCCN(C(=O)COc2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O2/c1-16-12-5-3-7-17(9-12)14(18)10-19-13-6-2-4-11(15)8-13/h2,4,6,8,12,16H,3,5,7,9-10H2,1H3
InChIKeyKNQMHAWHPFJKCH-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.93
Rot. Bonds4

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

2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone (PubChem CID 62535582) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
PubChem CID62535582
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCCN(C(=O)COc2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O2/c1-16-12-5-3-7-17(9-12)14(18)10-19-13-6-2-4-11(15)8-13/h2,4,6,8,12,16H,3,5,7,9-10H2,1H3
InChIKeyKNQMHAWHPFJKCH-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-(3-methoxyphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124574816
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016
2-(3-chlorophenoxy)-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62371114
1-[3-(2-bromoethyl)piperidin-1-yl]-2-(3-chlorophenoxy)ethanone
CID 80669972
2-(4-chlorophenoxy)-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]ethanone
CID 130320248
1-(4-chloro-3-methylpiperidin-1-yl)-2-(3-chlorophenoxy)ethanone
CID 114683193
2-[(3-chlorophenyl)methylsulfanyl]-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119488406
1-[3-(methylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119492518
N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34349122
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3-chlorophenoxy)ethanone
CID 9013099
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 124575482
2-[3-(methylaminomethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 106485942

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone (CID 62535582) is 2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone is CNC1CCCN(C(=O)COc2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is KNQMHAWHPFJKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16-12-5-3-7-17(9-12)14(18)10-19-13-6-2-4-11(15)8-13/h2,4,6,8,12,16H,3,5,7,9-10H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone?
2-(3-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-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 62535582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).