1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine

C14H20F2N2 — CID 64924018

IUPAC1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2ccc(F)c(F)c2)CCN1
InChIInChI=1S/C14H20F2N2/c1-10(2)7-11-9-18(6-5-17-11)12-3-4-13(15)14(16)8-12/h3-4,8,10-11,17H,5-7,9H2,1-2H3
InChIKeyDWDOHVNDVBCSIR-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.79
Rot. Bonds3

About 1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine

1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine (PubChem CID 64924018) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
PubChem CID64924018
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine
SMILESCC(C)CC1CN(c2ccc(F)c(F)c2)CCN1
InChIInChI=1S/C14H20F2N2/c1-10(2)7-11-9-18(6-5-17-11)12-3-4-13(15)14(16)8-12/h3-4,8,10-11,17H,5-7,9H2,1-2H3
InChIKeyDWDOHVNDVBCSIR-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine (CID 64924018) is 1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine is CC(C)CC1CN(c2ccc(F)c(F)c2)CCN1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine?
The InChIKey is DWDOHVNDVBCSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10(2)7-11-9-18(6-5-17-11)12-3-4-13(15)14(16)8-12/h3-4,8,10-11,17H,5-7,9H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine?
1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine has a molecular weight of 254.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 64924018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).