1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one

C17H25ClN2O — CID 134150162

IUPAC1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one
SMILESCN(CCCCN1CCCCC1=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-19(14-15-7-9-16(18)10-8-15)11-4-5-13-20-12-3-2-6-17(20)21/h7-10H,2-6,11-14H2,1H3
InChIKeyFQHMBOIBROHWQW-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.56
Rot. Bonds7

About 1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one

1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one (PubChem CID 134150162) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one
PubChem CID134150162
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one
SMILESCN(CCCCN1CCCCC1=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-19(14-15-7-9-16(18)10-8-15)11-4-5-13-20-12-3-2-6-17(20)21/h7-10H,2-6,11-14H2,1H3
InChIKeyFQHMBOIBROHWQW-UHFFFAOYSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one?
The IUPAC name of 1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one (CID 134150162) is 1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one is CN(CCCCN1CCCCC1=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one?
The InChIKey is FQHMBOIBROHWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-19(14-15-7-9-16(18)10-8-15)11-4-5-13-20-12-3-2-6-17(20)21/h7-10H,2-6,11-14H2,1H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one?
1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one has a molecular weight of 308.85 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methyl-methylamino]butyl]piperidin-2-one is sourced from PubChem (CID 134150162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).