2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine

C17H24F2N2 — CID 105409991

IUPAC2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine
SMILESCC1(C)CN(Cc2cc(F)cc(F)c2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H24F2N2/c1-16(2)11-21(17(3,10-20-16)13-4-5-13)9-12-6-14(18)8-15(19)7-12/h6-8,13,20H,4-5,9-11H2,1-3H3
InChIKeyRAMZPYKCUPEZKE-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.32
Rot. Bonds3

About 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine

2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine (PubChem CID 105409991) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine
PubChem CID105409991
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine
SMILESCC1(C)CN(Cc2cc(F)cc(F)c2)C(C)(C2CC2)CN1
InChIInChI=1S/C17H24F2N2/c1-16(2)11-21(17(3,10-20-16)13-4-5-13)9-12-6-14(18)8-15(19)7-12/h6-8,13,20H,4-5,9-11H2,1-3H3
InChIKeyRAMZPYKCUPEZKE-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64842290
1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
CID 64841899
1-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
CID 64843838
2-cyclopropyl-2,5,5-trimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840931
3-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-3-methylpiperazine
CID 105409901
2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 105409978
2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518869
2-cyclopropyl-1-(2-methoxyethyl)-2,5,5-trimethylpiperazine
CID 64841123
5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64878267
2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propan-2-ylpiperazine
CID 64839080
2-cyclopropyl-1-[(4-fluorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 64839799
1-[(3,5-difluorophenyl)methyl]-2,5-diethyl-5-methylpiperazine
CID 105410083

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine?
The IUPAC name of 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine (CID 105409991) is 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine.
What is the SMILES notation for 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine?
The canonical SMILES for 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine is CC1(C)CN(Cc2cc(F)cc(F)c2)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine?
The InChIKey is RAMZPYKCUPEZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-16(2)11-21(17(3,10-20-16)13-4-5-13)9-12-6-14(18)8-15(19)7-12/h6-8,13,20H,4-5,9-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine?
2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine has a molecular weight of 294.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine is sourced from PubChem (CID 105409991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).