5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine

C13H25F3N2 — CID 64841750

IUPAC5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCC1CN(CCC(F)(F)F)C(CC(C)C)CN1
InChIInChI=1S/C13H25F3N2/c1-4-11-9-18(6-5-13(14,15)16)12(8-17-11)7-10(2)3/h10-12,17H,4-9H2,1-3H3
InChIKeyISRQZWNMLZHGJC-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.04
Rot. Bonds5

About 5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine

5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 64841750) has the molecular formula C13H25F3N2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID64841750
Molecular FormulaC13H25F3N2
Molecular Weight266.35 g/mol
Exact Mass266.20
IUPAC Name5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine
SMILESCCC1CN(CCC(F)(F)F)C(CC(C)C)CN1
InChIInChI=1S/C13H25F3N2/c1-4-11-9-18(6-5-13(14,15)16)12(8-17-11)7-10(2)3/h10-12,17H,4-9H2,1-3H3
InChIKeyISRQZWNMLZHGJC-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutyl)-2,5-bis(2-methylpropyl)piperazine
CID 64848550
5-ethyl-1-(3-ethylsulfonylpropyl)-2-(2-methylpropyl)piperazine
CID 65096899
5-ethyl-2-(2-methylpropyl)-1-(2-propylsulfonylethyl)piperazine
CID 106732985
4-(2,5-diethylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79355714
2-(2-methylpropyl)-1-pentyl-5-propylpiperazine
CID 64839965
2-ethyl-1-(5-methylhexyl)-5-(2-methylpropyl)piperazine
CID 115327036
1-(2-cyclopentylethyl)-2-ethyl-5-(2-methylpropyl)piperazine
CID 64934770
2,5-bis(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine
CID 64849321
2-ethyl-1-heptyl-5-(2-methylpropyl)piperazine
CID 64848724
8-(2-methylpropyl)-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane
CID 64876420
2-methyl-5-propyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64846379
1-[2-(3-methylbutoxy)ethyl]-2-(2-methylpropyl)-5-propylpiperazine
CID 64839963

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine (CID 64841750) is 5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine is CCC1CN(CCC(F)(F)F)C(CC(C)C)CN1.
What is the InChIKey of 5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is ISRQZWNMLZHGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2/c1-4-11-9-18(6-5-13(14,15)16)12(8-17-11)7-10(2)3/h10-12,17H,4-9H2,1-3H3.
What are the key properties of 5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine?
5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 266.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 64841750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).