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

C21H25FN2O — CID 783844

IUPAC(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H25FN2O/c1-21(2,3)17-10-8-16(9-11-17)20(25)24-14-12-23(13-15-24)19-7-5-4-6-18(19)22/h4-11H,12-15H2,1-3H3
InChIKeyCCWMSLYDTLVXJF-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.09
Rot. Bonds2

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

(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 783844) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID783844
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C21H25FN2O/c1-21(2,3)17-10-8-16(9-11-17)20(25)24-14-12-23(13-15-24)19-7-5-4-6-18(19)22/h4-11H,12-15H2,1-3H3
InChIKeyCCWMSLYDTLVXJF-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

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Related Compounds

4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 589575
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 2995080
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 6472277
2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide
CID 17309248
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 17418431

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 783844) is (4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CC(C)(C)c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is CCWMSLYDTLVXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-21(2,3)17-10-8-16(9-11-17)20(25)24-14-12-23(13-15-24)19-7-5-4-6-18(19)22/h4-11H,12-15H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]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-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 783844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).