(2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone

C21H25FN2O — CID 113076410

IUPAC(2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(C)C)c1N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H25FN2O/c1-15(2)17-9-6-7-16(3)20(17)23-11-13-24(14-12-23)21(25)18-8-4-5-10-19(18)22/h4-10,15H,11-14H2,1-3H3
InChIKeyIHSAFTAWXVVJLF-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.22
Rot. Bonds3

About (2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone

(2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone (PubChem CID 113076410) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone
PubChem CID113076410
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(C(C)C)c1N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H25FN2O/c1-15(2)17-9-6-7-16(3)20(17)23-11-13-24(14-12-23)21(25)18-8-4-5-10-19(18)22/h4-10,15H,11-14H2,1-3H3
InChIKeyIHSAFTAWXVVJLF-UHFFFAOYSA-N
XLogP4.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076400
[4-(1-cyclopropylethyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 110708758
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
N-(2,6-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019038
(2-chloro-6-fluorophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 113075723
(2-fluorophenyl)-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636941
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333
1-[5-fluoro-4-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl]ethanone
CID 1152757
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone (CID 113076410) is (2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone is Cc1cccc(C(C)C)c1N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone?
The InChIKey is IHSAFTAWXVVJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-15(2)17-9-6-7-16(3)20(17)23-11-13-24(14-12-23)21(25)18-8-4-5-10-19(18)22/h4-10,15H,11-14H2,1-3H3.
What are the key properties of (2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone has a molecular weight of 340.44 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113076410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).