ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate

C14H21N3O2 — CID 83970370

IUPACethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cnc(N)c(C)c2)C1
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)11-5-4-6-17(9-11)12-7-10(2)13(15)16-8-12/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16)
InChIKeyKYJNRVQCXGTTPB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.75
Rot. Bonds3

About ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate

ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate (PubChem CID 83970370) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate
PubChem CID83970370
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2cnc(N)c(C)c2)C1
InChIInChI=1S/C14H21N3O2/c1-3-19-14(18)11-5-4-6-17(9-11)12-7-10(2)13(15)16-8-12/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16)
InChIKeyKYJNRVQCXGTTPB-UHFFFAOYSA-N
XLogP1.75
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate
CID 169213809
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
ethyl 1-(3-acetyl-5-chlorophenyl)piperidine-3-carboxylate
CID 110453041
ethyl (3R)-1-(4,5-dichloropyrimidin-2-yl)piperidine-3-carboxylate
CID 135137910
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
ethyl 1-(4-acetylphenyl)piperidine-3-carboxylate
CID 43176930
[2-(3-ethoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
CID 142400989
ethyl (3S)-1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 59410086
ethyl (3R)-1-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]piperidine-3-carboxylate
CID 92899200
ethyl 1-[4-amino-5-(3,4-dimethylphenyl)sulfonylpyrimidin-2-yl]piperidine-3-carboxylate
CID 50840466

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate (CID 83970370) is ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2cnc(N)c(C)c2)C1.
What is the InChIKey of ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate?
The InChIKey is KYJNRVQCXGTTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-19-14(18)11-5-4-6-17(9-11)12-7-10(2)13(15)16-8-12/h7-8,11H,3-6,9H2,1-2H3,(H2,15,16).
What are the key properties of ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate?
ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate is sourced from PubChem (CID 83970370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).