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

C21H25FN2O — CID 66792715

IUPAC[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN2O/c1-21(2,3)18-6-4-5-7-19(18)23-12-14-24(15-13-23)20(25)16-8-10-17(22)11-9-16/h4-11H,12-15H2,1-3H3
InChIKeyROMSFYWFTCBCCT-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.09
Rot. Bonds2

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

[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 66792715) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is [4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID66792715
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN2O/c1-21(2,3)18-6-4-5-7-19(18)23-12-14-24(15-13-23)20(25)16-8-10-17(22)11-9-16/h4-11H,12-15H2,1-3H3
InChIKeyROMSFYWFTCBCCT-UHFFFAOYSA-N
XLogP4.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)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-(2-tert-butylphenyl)piperazin-1-yl]-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)methanone
CID 66750926
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
(4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076086
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 66751030
methyl 4-(2-tert-butylphenyl)piperazine-1-carboxylate
CID 113076502
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
1-[4-(2-tert-butylphenyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 113076496
ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080740
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 66792715) is [4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is CC(C)(C)c1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is ROMSFYWFTCBCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-21(2,3)18-6-4-5-7-19(18)23-12-14-24(15-13-23)20(25)16-8-10-17(22)11-9-16/h4-11H,12-15H2,1-3H3.
What are the key properties of [4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 340.44 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 66792715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).