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

C20H23FN2O — CID 113076086

IUPAC(4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
SMILESCC(C)c1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O/c1-15(2)18-5-3-4-6-19(18)22-11-13-23(14-12-22)20(24)16-7-9-17(21)10-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyNFCPHKWLADPXRD-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.91
Rot. Bonds3

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

(4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone (PubChem CID 113076086) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
PubChem CID113076086
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name(4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
SMILESCC(C)c1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H23FN2O/c1-15(2)18-5-3-4-6-19(18)22-11-13-23(14-12-22)20(24)16-7-9-17(21)10-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyNFCPHKWLADPXRD-UHFFFAOYSA-N
XLogP3.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-tert-butylphenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66792715
1,3-benzodioxol-5-yl-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076112
2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113080805
ethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]benzoate
CID 113080740
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112277
1-(4-fluorobenzoyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17223875
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-phenylmethanone
CID 1152760

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone (CID 113076086) is (4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone is CC(C)c1ccccc1N1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone?
The InChIKey is NFCPHKWLADPXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15(2)18-5-3-4-6-19(18)22-11-13-23(14-12-22)20(24)16-7-9-17(21)10-8-16/h3-10,15H,11-14H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone has a molecular weight of 326.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113076086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).