1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one

C15H20ClNO — CID 70992327

IUPAC1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1CCN(c2ccc(C)cc2Cl)CC1
InChIInChI=1S/C15H20ClNO/c1-3-15(18)12-6-8-17(9-7-12)14-5-4-11(2)10-13(14)16/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyUWUTZHRQAIUBCF-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.84
Rot. Bonds3

About 1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one

1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one (PubChem CID 70992327) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one
PubChem CID70992327
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one
SMILESCCC(=O)C1CCN(c2ccc(C)cc2Cl)CC1
InChIInChI=1S/C15H20ClNO/c1-3-15(18)12-6-8-17(9-7-12)14-5-4-11(2)10-13(14)16/h4-5,10,12H,3,6-9H2,1-2H3
InChIKeyUWUTZHRQAIUBCF-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one (CID 70992327) is 1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one is CCC(=O)C1CCN(c2ccc(C)cc2Cl)CC1.
What is the InChIKey of 1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one?
The InChIKey is UWUTZHRQAIUBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-15(18)12-6-8-17(9-7-12)14-5-4-11(2)10-13(14)16/h4-5,10,12H,3,6-9H2,1-2H3.
What are the key properties of 1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one?
1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one has a molecular weight of 265.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 70992327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).