ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate

C11H15FN4O2 — CID 113432137

IUPACethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1c1ncc(F)cn1
InChIInChI=1S/C11H15FN4O2/c1-2-18-10(17)9-7-13-3-4-16(9)11-14-5-8(12)6-15-11/h5-6,9,13H,2-4,7H2,1H3
InChIKeyVPTGTNJATKSYEJ-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.04
Rot. Bonds3

About ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate

ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate (PubChem CID 113432137) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate
PubChem CID113432137
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Nameethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1c1ncc(F)cn1
InChIInChI=1S/C11H15FN4O2/c1-2-18-10(17)9-7-13-3-4-16(9)11-14-5-8(12)6-15-11/h5-6,9,13H,2-4,7H2,1H3
InChIKeyVPTGTNJATKSYEJ-UHFFFAOYSA-N
XLogP-0.04
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(5,6-diethyl-1,2,4-triazin-3-yl)piperazine-2-carboxylate
CID 105363029
ethyl 1-(6-chloropyrazin-2-yl)piperazine-2-carboxylate
CID 116650861
ethyl 1-(5-nitro-1,3-thiazol-2-yl)piperazine-2-carboxylate
CID 102771380
1-(5-fluoropyrimidin-2-yl)piperazine-2-carbaldehyde
CID 22107040
N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 114600957
ethyl 1-(1,3-thiazole-5-carbonyl)piperazine-2-carboxylate
CID 114031288
ethyl 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperazine-2-carboxylate
CID 107305379
ethyl 1-[1-(2-fluorophenyl)propyl]piperazine-2-carboxylate
CID 115996181
ethyl 1-[(4,6-dichloro-3-pyridinyl)methyl]piperazine-2-carboxylate
CID 116519819
1-(5-methoxypyrimidin-2-yl)-N,N-dimethylpiperazine-2-carboxamide
CID 114600956
ethyl 1-(4-iodo-2-nitrophenyl)piperazine-2-carboxylate
CID 66082699
1-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115973483

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate?
The IUPAC name of ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate (CID 113432137) is ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate is CCOC(=O)C1CNCCN1c1ncc(F)cn1.
What is the InChIKey of ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate?
The InChIKey is VPTGTNJATKSYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-2-18-10(17)9-7-13-3-4-16(9)11-14-5-8(12)6-15-11/h5-6,9,13H,2-4,7H2,1H3.
What are the key properties of ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate?
ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate has a molecular weight of 254.26 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate is sourced from PubChem (CID 113432137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).