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

C14H20N2O2 — CID 113331444

IUPACethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1ccncc1C
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)13-6-4-5-9-16(13)12-7-8-15-10-11(12)2/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyWSHLHUUFEORPOA-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.31
Rot. Bonds3

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

ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate (PubChem CID 113331444) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate
PubChem CID113331444
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1ccncc1C
InChIInChI=1S/C14H20N2O2/c1-3-18-14(17)13-6-4-5-9-16(13)12-7-8-15-10-11(12)2/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyWSHLHUUFEORPOA-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(8-nitroisoquinolin-5-yl)pyrrolidine-2-carboxylate
CID 133275061
ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
2-(bromomethyl)-1-(3-methyl-4-pyridinyl)azepane
CID 116638705
ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
CID 80647768
ethyl 1-(3-fluoro-2-nitrophenyl)piperidine-2-carboxylate
CID 115539392
ethyl 1-(4-carbamothioylphenyl)piperidine-2-carboxylate
CID 43648340
1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 54985518
ethyl 1-(2-carbamothioylphenyl)pyrrolidine-2-carboxylate
CID 55006616
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate
CID 63093053
ethyl 1-(4-bromo-2-carbamothioylphenyl)piperidine-2-carboxylate
CID 114891388
ethyl 1-(5-nitro-2-pyridinyl)piperidine-2-carboxylate
CID 115539350
ethyl 1-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxylate
CID 62006305

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate (CID 113331444) is ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1ccncc1C.
What is the InChIKey of ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate?
The InChIKey is WSHLHUUFEORPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-14(17)13-6-4-5-9-16(13)12-7-8-15-10-11(12)2/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate?
ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate is sourced from PubChem (CID 113331444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).