ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate

C10H17F3N2O2 — CID 171145567

IUPACethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-17-9(16)15-7-5-14(6-8-15)4-3-10(11,12)13/h2-8H2,1H3
InChIKeyGAPYBXFILGQJNV-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.71
Rot. Bonds3

About ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate

ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate (PubChem CID 171145567) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
PubChem CID171145567
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Nameethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O2/c1-2-17-9(16)15-7-5-14(6-8-15)4-3-10(11,12)13/h2-8H2,1H3
InChIKeyGAPYBXFILGQJNV-UHFFFAOYSA-N
XLogP1.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
ethyl 4-hexylpiperazine-1-carboxylate
CID 78822686
ethyl 4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108522953
2,2,2-trifluoroethyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
CID 63373740
ethyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252392
3,3-dimethyl-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]butan-1-one
CID 90142666
ethyl 4-(5-oxohexyl)piperazine-1-carboxylate
CID 107877302
ethyl 4-[2-(azetidin-3-yl)ethyl]piperazine-1-carboxylate
CID 114011837
2-[(2-methylpropan-2-yl)oxy]-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]ethanone
CID 90142571
CID 58181055
CID 58181055
ethyl 4-(3-methyl-3-phenylbutyl)piperazine-1-carboxylate
CID 14649429

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate (CID 171145567) is ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate?
The InChIKey is GAPYBXFILGQJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-17-9(16)15-7-5-14(6-8-15)4-3-10(11,12)13/h2-8H2,1H3.
What are the key properties of ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate?
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate is sourced from PubChem (CID 171145567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).