ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate

C15H24N4O2 — CID 107876806

IUPACethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)cc(C)c2CN)CC1
InChIInChI=1S/C15H24N4O2/c1-4-21-15(20)19-7-5-18(6-8-19)14-13(10-16)11(2)9-12(3)17-14/h9H,4-8,10,16H2,1-3H3
InChIKeyRZWUETRBNBIIDX-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.44
Rot. Bonds3

About ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate

ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate (PubChem CID 107876806) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
PubChem CID107876806
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nameethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(C)cc(C)c2CN)CC1
InChIInChI=1S/C15H24N4O2/c1-4-21-15(20)19-7-5-18(6-8-19)14-13(10-16)11(2)9-12(3)17-14/h9H,4-8,10,16H2,1-3H3
InChIKeyRZWUETRBNBIIDX-UHFFFAOYSA-N
XLogP1.44
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 61176874
tert-butyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate
CID 104933395
ethyl 4-[3-(aminomethyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
CID 107876783
[2-(4-cyclopropylpiperazin-1-yl)-4,6-dimethyl-3-pyridinyl]methanamine
CID 61440313
[4,6-dimethyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 61175547
[4,6-dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]methanamine
CID 62968036
2-[4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-1,4-diazepan-1-yl]ethanol
CID 107214045
ethyl 4-(2-chloro-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877548
ethyl 4-(4-cyano-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 107876946
1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114677807
4-(4-ethoxycarbonylpiperazin-1-yl)-2-methylbenzoic acid
CID 107877072
5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 98032415

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate (CID 107876806) is ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(C)cc(C)c2CN)CC1.
What is the InChIKey of ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate?
The InChIKey is RZWUETRBNBIIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-21-15(20)19-7-5-18(6-8-19)14-13(10-16)11(2)9-12(3)17-14/h9H,4-8,10,16H2,1-3H3.
What are the key properties of ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 1.44, 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)-4,6-dimethyl-2-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 107876806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).