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

C14H22N4O2 — CID 107877716

IUPACethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccnc(NC)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-20-14(19)18-8-6-17(7-9-18)11-12-4-5-16-13(10-12)15-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,15,16)
InChIKeySFVVUHCTAGHPIZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.40
Rot. Bonds4

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

ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate (PubChem CID 107877716) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate
PubChem CID107877716
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nameethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccnc(NC)c2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-20-14(19)18-8-6-17(7-9-18)11-12-4-5-16-13(10-12)15-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,15,16)
InChIKeySFVVUHCTAGHPIZ-UHFFFAOYSA-N
XLogP1.40
TPSA57.70 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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[2-(aminomethyl)-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 107876899
1-[4-[[2-(methylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 62463955
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate
CID 62470917
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471209
ethyl 4-[(4-amino-2-pyridinyl)methyl]piperazine-1-carboxylate
CID 107877724
ethyl 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazine-1-carboxylate
CID 103600819
1-[4-[[2-(ethylamino)-4-pyridinyl]methyl]-1,4-diazepan-1-yl]ethanone
CID 62464134
ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 154752830
1-[4-fluoro-1-[[2-(methylamino)-4-pyridinyl]methyl]piperidin-4-yl]butan-1-one
CID 91239121
ethyl 4-[(3-methoxycarbonylphenyl)methyl]piperazine-1-carboxylate
CID 78789966
4-(1,3-dihydroisoindol-2-ylmethyl)-N-methylpyridin-2-amine
CID 55075288
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate (CID 107877716) is ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2ccnc(NC)c2)CC1.
What is the InChIKey of ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate?
The InChIKey is SFVVUHCTAGHPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-20-14(19)18-8-6-17(7-9-18)11-12-4-5-16-13(10-12)15-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,15,16).
What are the key properties of ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate?
ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 107877716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).