5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine

C14H27FN2 — CID 80696739

IUPAC5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine
SMILESCCC(C)C1CN(CCF)C(C)(C2CC2)CN1
InChIInChI=1S/C14H27FN2/c1-4-11(2)13-9-17(8-7-15)14(3,10-16-13)12-5-6-12/h11-13,16H,4-10H2,1-3H3
InChIKeyAHXDMRXBMZXKPU-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.44
Rot. Bonds5

About 5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine

5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine (PubChem CID 80696739) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is 5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine
PubChem CID80696739
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC Name5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine
SMILESCCC(C)C1CN(CCF)C(C)(C2CC2)CN1
InChIInChI=1S/C14H27FN2/c1-4-11(2)13-9-17(8-7-15)14(3,10-16-13)12-5-6-12/h11-13,16H,4-10H2,1-3H3
InChIKeyAHXDMRXBMZXKPU-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-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine?
The IUPAC name of 5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine (CID 80696739) is 5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine.
What is the SMILES notation for 5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine?
The canonical SMILES for 5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine is CCC(C)C1CN(CCF)C(C)(C2CC2)CN1.
What is the InChIKey of 5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine?
The InChIKey is AHXDMRXBMZXKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN2/c1-4-11(2)13-9-17(8-7-15)14(3,10-16-13)12-5-6-12/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine?
5-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine 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-butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine is sourced from PubChem (CID 80696739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).