[2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone

C17H25FN2O — CID 82251060

IUPAC[2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCC(C)CC1CN(C(=O)c2ccc(F)cc2)C(C)(C)CN1
InChIInChI=1S/C17H25FN2O/c1-12(2)9-15-10-20(17(3,4)11-19-15)16(21)13-5-7-14(18)8-6-13/h5-8,12,15,19H,9-11H2,1-4H3
InChIKeyMPEJDWYFLFHCGT-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.06
Rot. Bonds3

About [2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone

[2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 82251060) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is [2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone
PubChem CID82251060
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name[2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone
SMILESCC(C)CC1CN(C(=O)c2ccc(F)cc2)C(C)(C)CN1
InChIInChI=1S/C17H25FN2O/c1-12(2)9-15-10-20(17(3,4)11-19-15)16(21)13-5-7-14(18)8-6-13/h5-8,12,15,19H,9-11H2,1-4H3
InChIKeyMPEJDWYFLFHCGT-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone (CID 82251060) is [2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone is CC(C)CC1CN(C(=O)c2ccc(F)cc2)C(C)(C)CN1.
What is the InChIKey of [2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is MPEJDWYFLFHCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-12(2)9-15-10-20(17(3,4)11-19-15)16(21)13-5-7-14(18)8-6-13/h5-8,12,15,19H,9-11H2,1-4H3.
What are the key properties of [2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone?
[2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 292.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-5-(2-methylpropyl)piperazin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 82251060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).