ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate

C14H20N2O2 — CID 113482815

IUPACethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccnc(C)c2)C1
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)12-5-4-8-16(10-12)13-6-7-15-11(2)9-13/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyIMIKGSJJPZWGRK-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.17
Rot. Bonds3

About ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate

ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate (PubChem CID 113482815) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
PubChem CID113482815
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccnc(C)c2)C1
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)12-5-4-8-16(10-12)13-6-7-15-11(2)9-13/h6-7,9,12H,3-5,8,10H2,1-2H3
InChIKeyIMIKGSJJPZWGRK-UHFFFAOYSA-N
XLogP2.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-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 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate
CID 83970370
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
ethyl 1-(4-acetylphenyl)piperidine-3-carboxylate
CID 43176930
ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate
CID 82537653
ethyl 1-(4-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 62006232
ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate
CID 169213809
ethyl (3S)-1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 59410086
methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate
CID 115538410
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate (CID 113482815) is ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ccnc(C)c2)C1.
What is the InChIKey of ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate?
The InChIKey is IMIKGSJJPZWGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-14(17)12-5-4-8-16(10-12)13-6-7-15-11(2)9-13/h6-7,9,12H,3-5,8,10H2,1-2H3.
What are the key properties of ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate?
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate is sourced from PubChem (CID 113482815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).