(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

C19H21FN2O — CID 828785

IUPAC(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O/c1-15-3-2-4-16(13-15)14-21-9-11-22(12-10-21)19(23)17-5-7-18(20)8-6-17/h2-8,13H,9-12,14H2,1H3
InChIKeyWOOBIZAFEBESPF-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.09
Rot. Bonds3

About (4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 828785) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID828785
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C19H21FN2O/c1-15-3-2-4-16(13-15)14-21-9-11-22(12-10-21)19(23)17-5-7-18(20)8-6-17/h2-8,13H,9-12,14H2,1H3
InChIKeyWOOBIZAFEBESPF-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-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (CID 828785) is (4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1cccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1.
What is the InChIKey of (4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is WOOBIZAFEBESPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-15-3-2-4-16(13-15)14-21-9-11-22(12-10-21)19(23)17-5-7-18(20)8-6-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]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-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 828785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).