2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine

C14H27FN2 — CID 80696608

IUPAC2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine
SMILESCCC1(CC)CN(CCF)C(C)(C2CC2)CN1
InChIInChI=1S/C14H27FN2/c1-4-14(5-2)11-17(9-8-15)13(3,10-16-14)12-6-7-12/h12,16H,4-11H2,1-3H3
InChIKeyDZVLUHISLAWUCL-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.59
Rot. Bonds5

About 2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine

2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine (PubChem CID 80696608) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine.

Molecular Properties

Compound Name2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine
PubChem CID80696608
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine
SMILESCCC1(CC)CN(CCF)C(C)(C2CC2)CN1
InChIInChI=1S/C14H27FN2/c1-4-14(5-2)11-17(9-8-15)13(3,10-16-14)12-6-7-12/h12,16H,4-11H2,1-3H3
InChIKeyDZVLUHISLAWUCL-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine?
The IUPAC name of 2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine (CID 80696608) is 2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine.
What is the SMILES notation for 2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine?
The canonical SMILES for 2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine is CCC1(CC)CN(CCF)C(C)(C2CC2)CN1.
What is the InChIKey of 2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine?
The InChIKey is DZVLUHISLAWUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-4-14(5-2)11-17(9-8-15)13(3,10-16-14)12-6-7-12/h12,16H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine?
2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine has a molecular weight of 242.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,5-diethyl-1-(2-fluoroethyl)-2-methylpiperazine is sourced from PubChem (CID 80696608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).