(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone

C20H22FNO — CID 10470715

IUPAC(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H22FNO/c21-19-8-6-17(7-9-19)20(23)18-11-14-22(15-12-18)13-10-16-4-2-1-3-5-16/h1-9,18H,10-15H2
InChIKeyIRZABLOJOJACMJ-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.96
Rot. Bonds5

About (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone

(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone (PubChem CID 10470715) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone
PubChem CID10470715
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H22FNO/c21-19-8-6-17(7-9-19)20(23)18-11-14-22(15-12-18)13-10-16-4-2-1-3-5-16/h1-9,18H,10-15H2
InChIKeyIRZABLOJOJACMJ-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone (CID 10470715) is (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone?
The InChIKey is IRZABLOJOJACMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c21-19-8-6-17(7-9-19)20(23)18-11-14-22(15-12-18)13-10-16-4-2-1-3-5-16/h1-9,18H,10-15H2.
What are the key properties of (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone has a molecular weight of 311.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(2-phenylethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 10470715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).