5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine

C17H25FN2 — CID 80697580

IUPAC5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine
SMILESCC1(C2CC2)CN(CCF)C(C)(c2ccccc2)CN1
InChIInChI=1S/C17H25FN2/c1-16(14-8-9-14)13-20(11-10-18)17(2,12-19-16)15-6-4-3-5-7-15/h3-7,14,19H,8-13H2,1-2H3
InChIKeyONEJNQLYOLXVOF-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.95
Rot. Bonds4

About 5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine

5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine (PubChem CID 80697580) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine
PubChem CID80697580
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine
SMILESCC1(C2CC2)CN(CCF)C(C)(c2ccccc2)CN1
InChIInChI=1S/C17H25FN2/c1-16(14-8-9-14)13-20(11-10-18)17(2,12-19-16)15-6-4-3-5-7-15/h3-7,14,19H,8-13H2,1-2H3
InChIKeyONEJNQLYOLXVOF-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine (CID 80697580) is 5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine is CC1(C2CC2)CN(CCF)C(C)(c2ccccc2)CN1.
What is the InChIKey of 5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine?
The InChIKey is ONEJNQLYOLXVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-16(14-8-9-14)13-20(11-10-18)17(2,12-19-16)15-6-4-3-5-7-15/h3-7,14,19H,8-13H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine?
5-cyclopropyl-1-(2-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine has a molecular weight of 276.40 g/mol, XLogP of 2.95, 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-fluoroethyl)-2,5-dimethyl-2-phenylpiperazine is sourced from PubChem (CID 80697580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).