(4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone

C20H22FNO — CID 43815892

IUPAC(4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone
SMILESCc1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FNO/c1-15-2-4-16(5-3-15)14-22-12-10-18(11-13-22)20(23)17-6-8-19(21)9-7-17/h2-9,18H,10-14H2,1H3
InChIKeySAXXPIJGCKCFGH-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.23
Rot. Bonds4

About (4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone (PubChem CID 43815892) has the molecular formula C20H22FNO and a molecular weight of 311.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone
PubChem CID43815892
Molecular FormulaC20H22FNO
Molecular Weight311.40 g/mol
Exact Mass311.17
IUPAC Name(4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone
SMILESCc1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FNO/c1-15-2-4-16(5-3-15)14-22-12-10-18(11-13-22)20(23)17-6-8-19(21)9-7-17/h2-9,18H,10-14H2,1H3
InChIKeySAXXPIJGCKCFGH-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone (CID 43815892) is (4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone is Cc1ccc(CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone?
The InChIKey is SAXXPIJGCKCFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO/c1-15-2-4-16(5-3-15)14-22-12-10-18(11-13-22)20(23)17-6-8-19(21)9-7-17/h2-9,18H,10-14H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone has a molecular weight of 311.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 43815892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).