1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C15H21FN2O — CID 137429583

IUPAC1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCNC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O/c1-15(2,3)14(19)18-9-8-17-13(10-18)11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3
InChIKeyCULURASQTSCPIP-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.34
Rot. Bonds1

About 1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 137429583) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID137429583
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCNC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O/c1-15(2,3)14(19)18-9-8-17-13(10-18)11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3
InChIKeyCULURASQTSCPIP-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3S)-3-(4-fluorophenyl)piperazine-1-carboxylate
CID 68747024
1-[3-(4-fluorophenyl)azepan-1-yl]-2,2-dimethylpropan-1-one
CID 90608728
(3-ethyl-2-pyridinyl)-[3-(4-fluorophenyl)piperazin-1-yl]methanone
CID 155954977
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
3-(3,5-difluorophenyl)piperazine-1-carboxylic acid
CID 175494242
1-[3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 42863671
tert-butyl 3-(3,4,5-trifluorophenyl)piperazine-1-carboxylate
CID 91666765
2,2-dimethyl-1-(3-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241664
methyl 4-[(2S)-4-(cyclopropylcarbamoyl)piperazin-2-yl]benzoate
CID 176894565
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
(E)-1-(3-phenylpiperazin-1-yl)but-2-en-1-one
CID 110478117
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 137429583) is 1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCNC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CULURASQTSCPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-15(2,3)14(19)18-9-8-17-13(10-18)11-4-6-12(16)7-5-11/h4-7,13,17H,8-10H2,1-3H3.
What are the key properties of 1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 264.34 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 137429583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).