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

C12H15Cl2NO — CID 115054395

IUPAC2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride
SMILESCC1(c2ccc(Cl)cc2)NCCCC1=O.Cl
InChIInChI=1S/C12H14ClNO.ClH/c1-12(11(15)3-2-8-14-12)9-4-6-10(13)7-5-9;/h4-7,14H,2-3,8H2,1H3;1H
InChIKeyRELLXUFEOVTGID-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.93
Rot. Bonds1

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

2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride (PubChem CID 115054395) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride
PubChem CID115054395
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride
SMILESCC1(c2ccc(Cl)cc2)NCCCC1=O.Cl
InChIInChI=1S/C12H14ClNO.ClH/c1-12(11(15)3-2-8-14-12)9-4-6-10(13)7-5-9;/h4-7,14H,2-3,8H2,1H3;1H
InChIKeyRELLXUFEOVTGID-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride (CID 115054395) is 2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride is CC1(c2ccc(Cl)cc2)NCCCC1=O.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride?
The InChIKey is RELLXUFEOVTGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO.ClH/c1-12(11(15)3-2-8-14-12)9-4-6-10(13)7-5-9;/h4-7,14H,2-3,8H2,1H3;1H.
What are the key properties of 2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride?
2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride has a molecular weight of 260.16 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methylpiperidin-3-one;hydrochloride is sourced from PubChem (CID 115054395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).