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

C16H24F2N2 — CID 64845956

IUPAC1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)CN1Cc1ccc(F)cc1F
InChIInChI=1S/C16H24F2N2/c1-11(2)6-15-8-19-12(3)9-20(15)10-13-4-5-14(17)7-16(13)18/h4-5,7,11-12,15,19H,6,8-10H2,1-3H3
InChIKeyZMKVTTJXXFDBQK-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.17
Rot. Bonds4

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

1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 64845956) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID64845956
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)CN1Cc1ccc(F)cc1F
InChIInChI=1S/C16H24F2N2/c1-11(2)6-15-8-19-12(3)9-20(15)10-13-4-5-14(17)7-16(13)18/h4-5,7,11-12,15,19H,6,8-10H2,1-3H3
InChIKeyZMKVTTJXXFDBQK-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 64845979
1-[(2,5-dichlorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 65317842
2-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-5-methylpiperazine
CID 64844702
1-[(4-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 114860324
1-[(2,4-difluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64833514
1-[(4-bromophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine
CID 64845583
1-[(2,4-difluorophenyl)methyl]-2-ethyl-5-propylpiperazine
CID 64845383
1-[(2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 64845681
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
1-[(5-fluoro-2-methylphenyl)methyl]-5,5-dimethyl-2-(2-methylpropyl)piperazine
CID 105375695
1-[(2-bromo-5-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64980595
1-[(5-chloro-2-fluorophenyl)methyl]-5-methyl-2-propylpiperazine
CID 103050719

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine (CID 64845956) is 1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine is CC(C)CC1CNC(C)CN1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is ZMKVTTJXXFDBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-11(2)6-15-8-19-12(3)9-20(15)10-13-4-5-14(17)7-16(13)18/h4-5,7,11-12,15,19H,6,8-10H2,1-3H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine?
1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 282.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-5-methyl-2-(2-methylpropyl)piperazine is sourced from PubChem (CID 64845956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).