3-amino-3-(2-chlorophenyl)piperidin-2-one

C11H13ClN2O — CID 54580972

IUPAC3-amino-3-(2-chlorophenyl)piperidin-2-one
SMILESNC1(c2ccccc2Cl)CCCNC1=O
InChIInChI=1S/C11H13ClN2O/c12-9-5-2-1-4-8(9)11(13)6-3-7-14-10(11)15/h1-2,4-5H,3,6-7,13H2,(H,14,15)
InChIKeyYPJCXICTXBTTEW-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.40
Rot. Bonds1

About 3-amino-3-(2-chlorophenyl)piperidin-2-one

3-amino-3-(2-chlorophenyl)piperidin-2-one (PubChem CID 54580972) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-amino-3-(2-chlorophenyl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-3-(2-chlorophenyl)piperidin-2-one
PubChem CID54580972
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-amino-3-(2-chlorophenyl)piperidin-2-one
SMILESNC1(c2ccccc2Cl)CCCNC1=O
InChIInChI=1S/C11H13ClN2O/c12-9-5-2-1-4-8(9)11(13)6-3-7-14-10(11)15/h1-2,4-5H,3,6-7,13H2,(H,14,15)
InChIKeyYPJCXICTXBTTEW-UHFFFAOYSA-N
XLogP1.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-chlorophenyl)piperidin-2-one?
The IUPAC name of 3-amino-3-(2-chlorophenyl)piperidin-2-one (CID 54580972) is 3-amino-3-(2-chlorophenyl)piperidin-2-one.
What is the SMILES notation for 3-amino-3-(2-chlorophenyl)piperidin-2-one?
The canonical SMILES for 3-amino-3-(2-chlorophenyl)piperidin-2-one is NC1(c2ccccc2Cl)CCCNC1=O.
What is the InChIKey of 3-amino-3-(2-chlorophenyl)piperidin-2-one?
The InChIKey is YPJCXICTXBTTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-5-2-1-4-8(9)11(13)6-3-7-14-10(11)15/h1-2,4-5H,3,6-7,13H2,(H,14,15).
What are the key properties of 3-amino-3-(2-chlorophenyl)piperidin-2-one?
3-amino-3-(2-chlorophenyl)piperidin-2-one has a molecular weight of 224.69 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-chlorophenyl)piperidin-2-one is sourced from PubChem (CID 54580972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).