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

C21H25FN2O — CID 17217763

IUPAC(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCCCc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H25FN2O/c1-2-3-6-17-9-11-18(12-10-17)21(25)24-15-13-23(14-16-24)20-8-5-4-7-19(20)22/h4-5,7-12H,2-3,6,13-16H2,1H3
InChIKeyPEIWBUFHZRRZJZ-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.13
Rot. Bonds5

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

(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 17217763) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID17217763
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCCCc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H25FN2O/c1-2-3-6-17-9-11-18(12-10-17)21(25)24-15-13-23(14-16-24)20-8-5-4-7-19(20)22/h4-5,7-12H,2-3,6,13-16H2,1H3
InChIKeyPEIWBUFHZRRZJZ-UHFFFAOYSA-N
XLogP4.13
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 43922439
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide
CID 17309248
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 6472277
1-[4-(4-butylbenzoyl)piperazin-1-yl]butan-1-one
CID 110799985
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
1-[4-(2-fluorophenyl)piperazin-1-yl]heptan-1-one
CID 3309376
N-[3-(4-butylphenyl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 4999061
methyl 4-(4-butylbenzoyl)piperazine-1-carboxylate
CID 110803251

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 17217763) is (4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CCCCc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of (4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is PEIWBUFHZRRZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-2-3-6-17-9-11-18(12-10-17)21(25)24-15-13-23(14-16-24)20-8-5-4-7-19(20)22/h4-5,7-12H,2-3,6,13-16H2,1H3.
What are the key properties of (4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 340.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17217763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).