[4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate

C12H19F3N2O2 — CID 174973768

IUPAC[4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate
SMILESO=C(OC1CCC(C(F)(F)F)CC1)N1CCNCC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)9-1-3-10(4-2-9)19-11(18)17-7-5-16-6-8-17/h9-10,16H,1-8H2
InChIKeyBVWOITZWSQMYNQ-UHFFFAOYSA-N
MW280.29 g/mol
LogP2.15
Rot. Bonds1

About [4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate

[4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate (PubChem CID 174973768) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate
PubChem CID174973768
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name[4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate
SMILESO=C(OC1CCC(C(F)(F)F)CC1)N1CCNCC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)9-1-3-10(4-2-9)19-11(18)17-7-5-16-6-8-17/h9-10,16H,1-8H2
InChIKeyBVWOITZWSQMYNQ-UHFFFAOYSA-N
XLogP2.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate?
The IUPAC name of [4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate (CID 174973768) is [4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate?
The canonical SMILES for [4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate is O=C(OC1CCC(C(F)(F)F)CC1)N1CCNCC1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate?
The InChIKey is BVWOITZWSQMYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)9-1-3-10(4-2-9)19-11(18)17-7-5-16-6-8-17/h9-10,16H,1-8H2.
What are the key properties of [4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate?
[4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate has a molecular weight of 280.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexyl] piperazine-1-carboxylate is sourced from PubChem (CID 174973768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).