2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine

C14H27F3N2 — CID 64847994

IUPAC2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1(CC)CNC(CC(C)C)CN1CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-5-13(6-2)9-18-12(7-11(3)4)8-19(13)10-14(15,16)17/h11-12,18H,5-10H2,1-4H3
InChIKeyOLVNPWOLCOIQFP-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds5

About 2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine

2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine (PubChem CID 64847994) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
PubChem CID64847994
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
SMILESCCC1(CC)CNC(CC(C)C)CN1CC(F)(F)F
InChIInChI=1S/C14H27F3N2/c1-5-13(6-2)9-18-12(7-11(3)4)8-19(13)10-14(15,16)17/h11-12,18H,5-10H2,1-4H3
InChIKeyOLVNPWOLCOIQFP-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-but-2-enyl]-2,2-diethyl-5-(2-methylpropyl)piperazine
CID 107897984
2,2-diethyl-1-(3-methoxypropyl)-5-(2-methylpropyl)piperazine
CID 64849149
2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 112741495
2-ethyl-1-(2-fluoroethyl)-2-methyl-5-(2-methylpropyl)piperazine
CID 80697725
2,2,5-triethyl-1-prop-2-enylpiperazine
CID 64842758
5-(2-methylpropyl)-2-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64848157
2-ethyl-2-methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine
CID 64837904
2,2,5-triethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64843727
2,2-dimethyl-1-(2-methylpentyl)-5-(2-methylpropyl)piperazine
CID 64849914
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
1-butan-2-yl-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 79445054
1-(2-ethylsulfanylethyl)-2,2-dimethyl-5-(2-methylpropyl)piperazine
CID 113474537

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine (CID 64847994) is 2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine is CCC1(CC)CNC(CC(C)C)CN1CC(F)(F)F.
What is the InChIKey of 2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is OLVNPWOLCOIQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-5-13(6-2)9-18-12(7-11(3)4)8-19(13)10-14(15,16)17/h11-12,18H,5-10H2,1-4H3.
What are the key properties of 2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine?
2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 64847994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).