5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine

C14H27FN2 — CID 80696437

IUPAC5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)(C2CC2)CN1CCF
InChIInChI=1S/C14H27FN2/c1-11(2)8-13-9-16-14(3,12-4-5-12)10-17(13)7-6-15/h11-13,16H,4-10H2,1-3H3
InChIKeyKHNIWAANEMOKPB-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.44
Rot. Bonds5

About 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine

5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine (PubChem CID 80696437) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine
PubChem CID80696437
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine
SMILESCC(C)CC1CNC(C)(C2CC2)CN1CCF
InChIInChI=1S/C14H27FN2/c1-11(2)8-13-9-16-14(3,12-4-5-12)10-17(13)7-6-15/h11-13,16H,4-10H2,1-3H3
InChIKeyKHNIWAANEMOKPB-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.44
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-(2-methylpropyl)piperazine?
The IUPAC name of 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine (CID 80696437) is 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine?
The canonical SMILES for 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine is CC(C)CC1CNC(C)(C2CC2)CN1CCF.
What is the InChIKey of 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine?
The InChIKey is KHNIWAANEMOKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-11(2)8-13-9-16-14(3,12-4-5-12)10-17(13)7-6-15/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine?
5-cyclopropyl-1-(2-fluoroethyl)-5-methyl-2-(2-methylpropyl)piperazine has a molecular weight of 242.38 g/mol, XLogP of 2.44, 5 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-(2-methylpropyl)piperazine is sourced from PubChem (CID 80696437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).