5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine

C17H25FN2 — CID 64945697

IUPAC5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine
SMILESCC1CNC(C)(C2CC2)CN1C(C)c1ccccc1F
InChIInChI=1S/C17H25FN2/c1-12-10-19-17(3,14-8-9-14)11-20(12)13(2)15-6-4-5-7-16(15)18/h4-7,12-14,19H,8-11H2,1-3H3
InChIKeyLKKSVJKBEBWNKZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.35
Rot. Bonds3

About 5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine

5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine (PubChem CID 64945697) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine
PubChem CID64945697
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine
SMILESCC1CNC(C)(C2CC2)CN1C(C)c1ccccc1F
InChIInChI=1S/C17H25FN2/c1-12-10-19-17(3,14-8-9-14)11-20(12)13(2)15-6-4-5-7-16(15)18/h4-7,12-14,19H,8-11H2,1-3H3
InChIKeyLKKSVJKBEBWNKZ-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine (CID 64945697) is 5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine is CC1CNC(C)(C2CC2)CN1C(C)c1ccccc1F.
What is the InChIKey of 5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine?
The InChIKey is LKKSVJKBEBWNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-12-10-19-17(3,14-8-9-14)11-20(12)13(2)15-6-4-5-7-16(15)18/h4-7,12-14,19H,8-11H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine?
5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine has a molecular weight of 276.40 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 64945697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).