ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate

C14H15F2N3O2 — CID 60602596

IUPACethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2c(F)cc(C#N)cc2F)CC1
InChIInChI=1S/C14H15F2N3O2/c1-2-21-14(20)19-5-3-18(4-6-19)13-11(15)7-10(9-17)8-12(13)16/h7-8H,2-6H2,1H3
InChIKeyARVUEBJPCCMKND-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.11
Rot. Bonds2

About ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate

ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate (PubChem CID 60602596) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate
PubChem CID60602596
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Nameethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2c(F)cc(C#N)cc2F)CC1
InChIInChI=1S/C14H15F2N3O2/c1-2-21-14(20)19-5-3-18(4-6-19)13-11(15)7-10(9-17)8-12(13)16/h7-8H,2-6H2,1H3
InChIKeyARVUEBJPCCMKND-UHFFFAOYSA-N
XLogP2.11
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-cyano-2-fluorophenyl)piperazine-1-carboxylate
CID 6486814
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946
1-(4-cyano-2,6-difluorophenyl)-N-ethylpiperidine-4-carboxamide
CID 167966784
ethyl 4-(3-bromo-5-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 84611937
ethyl 4-(2-cyano-4-methylphenyl)piperazine-1-carboxylate
CID 107928001
3,5-difluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]benzonitrile
CID 51101953
4-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3,5-difluorobenzonitrile
CID 52820250
3,5-difluoro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzonitrile
CID 51101924
4-(4-ethylazepan-1-yl)-3,5-difluorobenzonitrile
CID 78992299
ethyl 4-[(3-cyano-4-fluorophenyl)methyl]piperazine-1-carboxylate
CID 68765124
3,5-difluoro-4-(4-methyl-1,4-diazepan-1-yl)benzonitrile
CID 78988221
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate (CID 60602596) is ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2c(F)cc(C#N)cc2F)CC1.
What is the InChIKey of ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate?
The InChIKey is ARVUEBJPCCMKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-2-21-14(20)19-5-3-18(4-6-19)13-11(15)7-10(9-17)8-12(13)16/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate?
ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate has a molecular weight of 295.29 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-cyano-2,6-difluorophenyl)piperazine-1-carboxylate is sourced from PubChem (CID 60602596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).