ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate

C14H22N4O2 — CID 107876783

IUPACethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nccc(C)c2CN)CC1
InChIInChI=1S/C14H22N4O2/c1-3-20-14(19)18-8-6-17(7-9-18)13-12(10-15)11(2)4-5-16-13/h4-5H,3,6-10,15H2,1-2H3
InChIKeyMRCWCWBSURZUJJ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.13
Rot. Bonds3

About ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate

ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 107876783) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
PubChem CID107876783
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nameethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nccc(C)c2CN)CC1
InChIInChI=1S/C14H22N4O2/c1-3-20-14(19)18-8-6-17(7-9-18)13-12(10-15)11(2)4-5-16-13/h4-5H,3,6-10,15H2,1-2H3
InChIKeyMRCWCWBSURZUJJ-UHFFFAOYSA-N
XLogP1.13
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate (CID 107876783) is ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nccc(C)c2CN)CC1.
What is the InChIKey of ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is MRCWCWBSURZUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-20-14(19)18-8-6-17(7-9-18)13-12(10-15)11(2)4-5-16-13/h4-5H,3,6-10,15H2,1-2H3.
What are the key properties of ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 107876783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).