ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate

C15H22N2O2 — CID 112550209

IUPACethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ncccc1C
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)14-8-4-5-10-17(14)11-13-12(2)7-6-9-16-13/h6-7,9,14H,3-5,8,10-11H2,1-2H3
InChIKeyCBSGCFPJEBOIPE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.31
Rot. Bonds4

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

ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate (PubChem CID 112550209) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
PubChem CID112550209
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1ncccc1C
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)14-8-4-5-10-17(14)11-13-12(2)7-6-9-16-13/h6-7,9,14H,3-5,8,10-11H2,1-2H3
InChIKeyCBSGCFPJEBOIPE-UHFFFAOYSA-N
XLogP2.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate (CID 112550209) is ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1ncccc1C.
What is the InChIKey of ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate?
The InChIKey is CBSGCFPJEBOIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-15(18)14-8-4-5-10-17(14)11-13-12(2)7-6-9-16-13/h6-7,9,14H,3-5,8,10-11H2,1-2H3.
What are the key properties of ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 112550209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).