ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate

C14H22N4O2 — CID 107876899

IUPACethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccnc(CN)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-20-14(19)18-7-5-17(6-8-18)11-12-3-4-16-13(9-12)10-15/h3-4,9H,2,5-8,10-11,15H2,1H3
InChIKeyYJENRXKAWMZSKU-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.81
Rot. Bonds4

About ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate

ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate (PubChem CID 107876899) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate
PubChem CID107876899
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nameethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccnc(CN)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-2-20-14(19)18-7-5-17(6-8-18)11-12-3-4-16-13(9-12)10-15/h3-4,9H,2,5-8,10-11,15H2,1H3
InChIKeyYJENRXKAWMZSKU-UHFFFAOYSA-N
XLogP0.81
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 107877716
tert-butyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]-1,4-diazepane-1-carboxylate
CID 104933512
ethyl 4-[(4-amino-2-pyridinyl)methyl]piperazine-1-carboxylate
CID 107877724
[4-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888635
ethyl 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazine-1-carboxylate
CID 103600819
ethyl 4-[(3-methoxycarbonylphenyl)methyl]piperazine-1-carboxylate
CID 78789966
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888263
ethyl 4-[(3-amino-5-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 107876878
ethyl 4-[[7-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-8-hydroxyquinolin-5-yl]methyl]piperazine-1-carboxylate
CID 3471245
ethyl 4-[(3-cyano-4-fluorophenyl)methyl]piperazine-1-carboxylate
CID 68765124
ethyl 4-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperazine-1-carboxylate
CID 91776475

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate (CID 107876899) is ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2ccnc(CN)c2)CC1.
What is the InChIKey of ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate?
The InChIKey is YJENRXKAWMZSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-20-14(19)18-7-5-17(6-8-18)11-12-3-4-16-13(9-12)10-15/h3-4,9H,2,5-8,10-11,15H2,1H3.
What are the key properties of ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate?
ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 107876899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).