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

C19H21FN2O — CID 17249811

IUPAC[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O/c1-15-4-2-3-5-18(15)19(23)22-12-10-21(11-13-22)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3
InChIKeyUONQPTDUVPPQHY-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.09
Rot. Bonds3

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

[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 17249811) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID17249811
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN2O/c1-15-4-2-3-5-18(15)19(23)22-12-10-21(11-13-22)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3
InChIKeyUONQPTDUVPPQHY-UHFFFAOYSA-N
XLogP3.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone (CID 17249811) is [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is UONQPTDUVPPQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-15-4-2-3-5-18(15)19(23)22-12-10-21(11-13-22)14-16-6-8-17(20)9-7-16/h2-9H,10-14H2,1H3.
What are the key properties of [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone?
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 312.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 17249811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).