1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine

C15H22F2N2 — CID 64930047

IUPAC1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2ccc(F)cc2F)C(C)CN1
InChIInChI=1S/C15H22F2N2/c1-10(2)6-13-9-19(11(3)8-18-13)15-5-4-12(16)7-14(15)17/h4-5,7,10-11,13,18H,6,8-9H2,1-3H3
InChIKeyKOOSQPLHOAEUHL-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.18
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine

1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine (PubChem CID 64930047) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
PubChem CID64930047
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2ccc(F)cc2F)C(C)CN1
InChIInChI=1S/C15H22F2N2/c1-10(2)6-13-9-19(11(3)8-18-13)15-5-4-12(16)7-14(15)17/h4-5,7,10-11,13,18H,6,8-9H2,1-3H3
InChIKeyKOOSQPLHOAEUHL-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine (CID 64930047) is 1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine is CC(C)CC1CN(c2ccc(F)cc2F)C(C)CN1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
The InChIKey is KOOSQPLHOAEUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10(2)6-13-9-19(11(3)8-18-13)15-5-4-12(16)7-14(15)17/h4-5,7,10-11,13,18H,6,8-9H2,1-3H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine?
1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine has a molecular weight of 268.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-methyl-5-(2-methylpropyl)piperazine is sourced from PubChem (CID 64930047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).