[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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Related Compounds

(2,2-dimethyl-5-propan-2-ylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 82248021
(3,4-difluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82247181
(3,4-difluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82249342
(3-fluorophenyl)-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82246689
1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 79445054
[(3R,5R)-5-(3-fluorophenyl)-5-methyl-3-(2-methylpropyl)pyrazolidin-1-yl]-(4-nitrophenyl)methanone
CID 102449235
2,2-dimethyl-5-(2-methylpropyl)-1-[(1-methylpyrazol-3-yl)methyl]piperazine
CID 82870890
(2,3,4-trifluorophenyl)-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82249866
2,2-dimethyl-5-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64847410
1-[(3-chlorophenyl)methyl]-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 64848563
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-3-methylbutan-1-one
CID 110327504
2,2-dimethyl-1-(2-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64849914

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).