(1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone

C19H20ClNO — CID 24747050

IUPAC(1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20ClNO/c20-18-8-6-16(7-9-18)19(22)17-10-12-21(13-11-17)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2
InChIKeyXTYHVZOJOZJRJQ-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.43
Rot. Bonds4

About (1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone

(1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone (PubChem CID 24747050) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone
PubChem CID24747050
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H20ClNO/c20-18-8-6-16(7-9-18)19(22)17-10-12-21(13-11-17)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2
InChIKeyXTYHVZOJOZJRJQ-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone (CID 24747050) is (1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone?
The InChIKey is XTYHVZOJOZJRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c20-18-8-6-16(7-9-18)19(22)17-10-12-21(13-11-17)14-15-4-2-1-3-5-15/h1-9,17H,10-14H2.
What are the key properties of (1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone?
(1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone has a molecular weight of 313.83 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 24747050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).