1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine

C15H22F2N2O — CID 64938447

IUPAC1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(c2ccc(OC(F)F)cc2)C(C)CN1
InChIInChI=1S/C15H22F2N2O/c1-10(2)14-9-19(11(3)8-18-14)12-4-6-13(7-5-12)20-15(16)17/h4-7,10-11,14-15,18H,8-9H2,1-3H3
InChIKeyYBTAOELUFFCJFC-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.11
Rot. Bonds4

About 1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine

1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine (PubChem CID 64938447) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine
PubChem CID64938447
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine
SMILESCC(C)C1CN(c2ccc(OC(F)F)cc2)C(C)CN1
InChIInChI=1S/C15H22F2N2O/c1-10(2)14-9-19(11(3)8-18-14)12-4-6-13(7-5-12)20-15(16)17/h4-7,10-11,14-15,18H,8-9H2,1-3H3
InChIKeyYBTAOELUFFCJFC-UHFFFAOYSA-N
XLogP3.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-butan-2-yl-1-[4-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938260
1-(3-bromo-4-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
CID 104781812
2-methyl-1-(3-methylphenyl)-5-propan-2-ylpiperazine
CID 64952301
1-(4-ethoxyphenyl)-2,5-di(propan-2-yl)piperazine
CID 64952074
2-methyl-5-propan-2-yl-1-(3-propan-2-ylphenyl)piperazine
CID 64936332
1-(2,6-difluoro-3-methylphenyl)-2-methyl-5-propan-2-ylpiperazine
CID 82819769
2-ethyl-1-(4-methoxyphenyl)-5-propan-2-ylpiperazine
CID 64954255
1-[4-(difluoromethoxy)phenyl]-3-methylpiperazine
CID 64925028
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
5-butan-2-yl-1-[2-(difluoromethoxy)phenyl]-2-methylpiperazine
CID 64938638
1-(4-bromo-2-fluorophenyl)-2-methyl-5-propan-2-ylpiperazine
CID 64936357
1-(2,4-dimethyl-3-pyridinyl)-2-methyl-5-propan-2-ylpiperazine
CID 112741992

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine (CID 64938447) is 1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine is CC(C)C1CN(c2ccc(OC(F)F)cc2)C(C)CN1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is YBTAOELUFFCJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-10(2)14-9-19(11(3)8-18-14)12-4-6-13(7-5-12)20-15(16)17/h4-7,10-11,14-15,18H,8-9H2,1-3H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine?
1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 284.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64938447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).