(4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone

C19H20FNO — CID 667749

IUPAC(4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H20FNO/c20-18-9-5-4-8-17(18)19(22)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyLEVTWCPGXIVKEH-UHFFFAOYSA-N
MW297.37 g/mol
LogP3.92
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone

(4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone (PubChem CID 667749) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone
PubChem CID667749
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C19H20FNO/c20-18-9-5-4-8-17(18)19(22)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyLEVTWCPGXIVKEH-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone (CID 667749) is (4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone?
The InChIKey is LEVTWCPGXIVKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-18-9-5-4-8-17(18)19(22)21-12-10-16(11-13-21)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone?
(4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone has a molecular weight of 297.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 667749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).