2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine

C16H31F3N2 — CID 115518959

IUPAC2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine
SMILESCCC(C)C1CN(CCCC(F)(F)F)C(C(C)CC)CN1
InChIInChI=1S/C16H31F3N2/c1-5-12(3)14-11-21(9-7-8-16(17,18)19)15(10-20-14)13(4)6-2/h12-15,20H,5-11H2,1-4H3
InChIKeyIRVVTONFKWKWNA-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.06
Rot. Bonds7

About 2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine

2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine (PubChem CID 115518959) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine.

Molecular Properties

Compound Name2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine
PubChem CID115518959
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine
SMILESCCC(C)C1CN(CCCC(F)(F)F)C(C(C)CC)CN1
InChIInChI=1S/C16H31F3N2/c1-5-12(3)14-11-21(9-7-8-16(17,18)19)15(10-20-14)13(4)6-2/h12-15,20H,5-11H2,1-4H3
InChIKeyIRVVTONFKWKWNA-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-butan-2-yl-5-methyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518778
5-butan-2-yl-2-tert-butyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518965
5-butan-2-yl-2-tert-butyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64847087
2-butan-2-yl-5,5-diethyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115519095
3-butan-2-yl-1-(4,4,4-trifluorobutyl)-1,4-diazepane
CID 115519153
5-butan-2-yl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-propan-2-ylpiperazine
CID 115943623
5-butan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64847845
2-butan-2-yl-1-butyl-5-methylpiperazine
CID 64846296
2-[(2S,5S,8S,11S)-2,5,8,11-tetrakis[(2R)-butan-2-yl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 152549918
2-butan-2-yl-1-(2-ethoxyethyl)-5-propan-2-ylpiperazine
CID 64839227
3-butan-2-yl-1-(3,3,3-trifluoropropyl)-1,4-diazepane
CID 64858415
2-butan-2-yl-1-(3-fluoropropyl)-5-propylpiperazine
CID 81114309

Frequently Asked Questions

What is the IUPAC name of 2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine?
The IUPAC name of 2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine (CID 115518959) is 2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine.
What is the SMILES notation for 2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine?
The canonical SMILES for 2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine is CCC(C)C1CN(CCCC(F)(F)F)C(C(C)CC)CN1.
What is the InChIKey of 2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine?
The InChIKey is IRVVTONFKWKWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-5-12(3)14-11-21(9-7-8-16(17,18)19)15(10-20-14)13(4)6-2/h12-15,20H,5-11H2,1-4H3.
What are the key properties of 2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine?
2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine has a molecular weight of 308.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(butan-2-yl)-1-(4,4,4-trifluorobutyl)piperazine is sourced from PubChem (CID 115518959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).