5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine

C17H24F2N2 — CID 64861878

IUPAC5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine
SMILESCCC1(C)CNC(C2CC2)CN1Cc1cc(F)ccc1F
InChIInChI=1S/C17H24F2N2/c1-3-17(2)11-20-16(12-4-5-12)10-21(17)9-13-8-14(18)6-7-15(13)19/h6-8,12,16,20H,3-5,9-11H2,1-2H3
InChIKeyLIRHUNUYGXETEI-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.32
Rot. Bonds4

About 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine

5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine (PubChem CID 64861878) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine
PubChem CID64861878
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine
SMILESCCC1(C)CNC(C2CC2)CN1Cc1cc(F)ccc1F
InChIInChI=1S/C17H24F2N2/c1-3-17(2)11-20-16(12-4-5-12)10-21(17)9-13-8-14(18)6-7-15(13)19/h6-8,12,16,20H,3-5,9-11H2,1-2H3
InChIKeyLIRHUNUYGXETEI-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-2-ethyl-1-[(2-methoxyphenyl)methyl]-2-methylpiperazine
CID 64862069
1-[(2-chloro-3-fluorophenyl)methyl]-5-cyclopropyl-2-ethyl-2-methylpiperazine
CID 115984472
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64861102
5-cyclopropyl-2-ethyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491173
1-[(2,5-difluorophenyl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841386
1-[(2-chloro-4-fluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 64843141
3-cyclopropyl-1-[(2,5-difluorophenyl)methyl]piperazine
CID 64833211
5-cyclopropyl-2-ethyl-2-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64862073
5-cyclopropyl-2-ethyl-2-methyl-1-propylpiperazine
CID 64862262
5-cyclopropyl-2-ethyl-2-methyl-1-(2-phenylethyl)piperazine
CID 64862455
5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64861649
1-[(3,4-difluorophenyl)methyl]-2,5-diethyl-2-methylpiperazine
CID 82925269

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine (CID 64861878) is 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine is CCC1(C)CNC(C2CC2)CN1Cc1cc(F)ccc1F.
What is the InChIKey of 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine?
The InChIKey is LIRHUNUYGXETEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-3-17(2)11-20-16(12-4-5-12)10-21(17)9-13-8-14(18)6-7-15(13)19/h6-8,12,16,20H,3-5,9-11H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine?
5-cyclopropyl-1-[(2,5-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine has a molecular weight of 294.39 g/mol, XLogP of 3.32, 4 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-difluorophenyl)methyl]-2-ethyl-2-methylpiperazine is sourced from PubChem (CID 64861878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).