(2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

C18H18ClFN2O — CID 19323347

IUPAC(2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H18ClFN2O/c19-17-4-2-1-3-16(17)18(23)22-11-9-21(10-12-22)13-14-5-7-15(20)8-6-14/h1-8H,9-13H2
InChIKeyLCVAOQIPXXCEOL-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.44
Rot. Bonds3

About (2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

(2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19323347) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19323347
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name(2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H18ClFN2O/c19-17-4-2-1-3-16(17)18(23)22-11-9-21(10-12-22)13-14-5-7-15(20)8-6-14/h1-8H,9-13H2
InChIKeyLCVAOQIPXXCEOL-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 19323347) is (2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is LCVAOQIPXXCEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c19-17-4-2-1-3-16(17)18(23)22-11-9-21(10-12-22)13-14-5-7-15(20)8-6-14/h1-8H,9-13H2.
What are the key properties of (2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 332.81 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19323347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).