5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine

C13H25FN2 — CID 80696301

IUPAC5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1CCF
InChIInChI=1S/C13H25FN2/c1-10(2)12-8-15-13(3,11-4-5-11)9-16(12)7-6-14/h10-12,15H,4-9H2,1-3H3
InChIKeyOFHXGDOYKHPSOW-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.05
Rot. Bonds4

About 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine

5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 80696301) has the molecular formula C13H25FN2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID80696301
Molecular FormulaC13H25FN2
Molecular Weight228.35 g/mol
Exact Mass228.20
IUPAC Name5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1CCF
InChIInChI=1S/C13H25FN2/c1-10(2)12-8-15-13(3,11-4-5-11)9-16(12)7-6-14/h10-12,15H,4-9H2,1-3H3
InChIKeyOFHXGDOYKHPSOW-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.05
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)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine (CID 80696301) is 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C)(C2CC2)CN1CCF.
What is the InChIKey of 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is OFHXGDOYKHPSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2/c1-10(2)12-8-15-13(3,11-4-5-11)9-16(12)7-6-14/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine?
5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 228.35 g/mol, XLogP of 2.05, 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)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 80696301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).