ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate

C14H15F6N3O2 — CID 2747411

IUPACethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H15F6N3O2/c1-2-25-12(24)23-5-3-22(4-6-23)11-8-9(13(15,16)17)7-10(21-11)14(18,19)20/h7-8H,2-6H2,1H3
InChIKeyFPZDRDVOLPTLCR-UHFFFAOYSA-N
MW371.28 g/mol
LogP3.40
Rot. Bonds2

About ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate

ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 2747411) has the molecular formula C14H15F6N3O2 and a molecular weight of 371.28 g/mol. Its IUPAC name is ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
PubChem CID2747411
Molecular FormulaC14H15F6N3O2
Molecular Weight371.28 g/mol
Exact Mass371.11
IUPAC Nameethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H15F6N3O2/c1-2-25-12(24)23-5-3-22(4-6-23)11-8-9(13(15,16)17)7-10(21-11)14(18,19)20/h7-8H,2-6H2,1H3
InChIKeyFPZDRDVOLPTLCR-UHFFFAOYSA-N
XLogP3.40
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate (CID 2747411) is ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)n2)CC1.
What is the InChIKey of ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is FPZDRDVOLPTLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6N3O2/c1-2-25-12(24)23-5-3-22(4-6-23)11-8-9(13(15,16)17)7-10(21-11)14(18,19)20/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 371.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 2747411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).