5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine

C16H22F2N2 — CID 103587634

IUPAC5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine
SMILESCc1cc(F)c(N2CC(C)(C3CC3)NCC2C)cc1F
InChIInChI=1S/C16H22F2N2/c1-10-6-14(18)15(7-13(10)17)20-9-16(3,12-4-5-12)19-8-11(20)2/h6-7,11-12,19H,4-5,8-9H2,1-3H3
InChIKeyLFYYGIJXCGJXSY-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.24
Rot. Bonds2

About 5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine

5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine (PubChem CID 103587634) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine
PubChem CID103587634
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine
SMILESCc1cc(F)c(N2CC(C)(C3CC3)NCC2C)cc1F
InChIInChI=1S/C16H22F2N2/c1-10-6-14(18)15(7-13(10)17)20-9-16(3,12-4-5-12)19-8-11(20)2/h6-7,11-12,19H,4-5,8-9H2,1-3H3
InChIKeyLFYYGIJXCGJXSY-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-1-(2,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 64934485
1-(2-bromo-4-methylphenyl)-5-cyclopropyl-2,5-dimethylpiperazine
CID 64935270
1-(2-chloro-4-fluoro-5-methylphenyl)-2,5,5-trimethylpiperazine
CID 112734719
1-(2,5-difluoro-4-methylphenyl)-2-methylpiperazine
CID 103587648
5-cyclopropyl-2,5-dimethyl-1-phenylpiperazine
CID 64932614
1-(2,5-difluoro-4-methylphenyl)-2-methyl-5-propylpiperazine
CID 103587633
5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine
CID 64945697
1-(4-chloro-2-fluorophenyl)-2,5,5-trimethylpiperazine
CID 64948360
1-[(5-bromo-2-fluorophenyl)methyl]-5-cyclopropyl-2,5-dimethylpiperazine
CID 64877865
(2R)-1-(2,5-difluoro-4-methylphenyl)-2,4-dimethylpiperazine
CID 176723386
5-cyclopropyl-1-[(2-fluorophenyl)methyl]-2,5-dimethylpiperazine
CID 64875570
5-cyclopropyl-1-(3,5-dimethylphenyl)-2-ethyl-5-methylpiperazine
CID 64932628

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine (CID 103587634) is 5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine is Cc1cc(F)c(N2CC(C)(C3CC3)NCC2C)cc1F.
What is the InChIKey of 5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine?
The InChIKey is LFYYGIJXCGJXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-10-6-14(18)15(7-13(10)17)20-9-16(3,12-4-5-12)19-8-11(20)2/h6-7,11-12,19H,4-5,8-9H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine?
5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine has a molecular weight of 280.36 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,5-difluoro-4-methylphenyl)-2,5-dimethylpiperazine is sourced from PubChem (CID 103587634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).