3-(2-chlorophenyl)piperidin-4-one;hydrochloride

C11H13Cl2NO — CID 121230745

IUPAC3-(2-chlorophenyl)piperidin-4-one;hydrochloride
SMILESCl.O=C1CCNCC1c1ccccc1Cl
InChIInChI=1S/C11H12ClNO.ClH/c12-10-4-2-1-3-8(10)9-7-13-6-5-11(9)14;/h1-4,9,13H,5-7H2;1H
InChIKeyAXJMGSQRUFSIAN-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.41
Rot. Bonds1

About 3-(2-chlorophenyl)piperidin-4-one;hydrochloride

3-(2-chlorophenyl)piperidin-4-one;hydrochloride (PubChem CID 121230745) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 3-(2-chlorophenyl)piperidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)piperidin-4-one;hydrochloride
PubChem CID121230745
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name3-(2-chlorophenyl)piperidin-4-one;hydrochloride
SMILESCl.O=C1CCNCC1c1ccccc1Cl
InChIInChI=1S/C11H12ClNO.ClH/c12-10-4-2-1-3-8(10)9-7-13-6-5-11(9)14;/h1-4,9,13H,5-7H2;1H
InChIKeyAXJMGSQRUFSIAN-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)piperidin-4-one;hydrochloride?
The IUPAC name of 3-(2-chlorophenyl)piperidin-4-one;hydrochloride (CID 121230745) is 3-(2-chlorophenyl)piperidin-4-one;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenyl)piperidin-4-one;hydrochloride?
The canonical SMILES for 3-(2-chlorophenyl)piperidin-4-one;hydrochloride is Cl.O=C1CCNCC1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)piperidin-4-one;hydrochloride?
The InChIKey is AXJMGSQRUFSIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO.ClH/c12-10-4-2-1-3-8(10)9-7-13-6-5-11(9)14;/h1-4,9,13H,5-7H2;1H.
What are the key properties of 3-(2-chlorophenyl)piperidin-4-one;hydrochloride?
3-(2-chlorophenyl)piperidin-4-one;hydrochloride has a molecular weight of 246.14 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)piperidin-4-one;hydrochloride is sourced from PubChem (CID 121230745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).