ethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate

C15H22N2O2 — CID 21050427

IUPACethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccnc(C)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)14-5-8-17(9-6-14)11-13-4-7-16-12(2)10-13/h4,7,10,14H,3,5-6,8-9,11H2,1-2H3
InChIKeyFYTDVLCYBGJMEB-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.17
Rot. Bonds4

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

ethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate (PubChem CID 21050427) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate
PubChem CID21050427
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccnc(C)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)14-5-8-17(9-6-14)11-13-4-7-16-12(2)10-13/h4,7,10,14H,3,5-6,8-9,11H2,1-2H3
InChIKeyFYTDVLCYBGJMEB-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate (CID 21050427) is ethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccnc(C)c2)CC1.
What is the InChIKey of ethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate?
The InChIKey is FYTDVLCYBGJMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-15(18)14-5-8-17(9-6-14)11-13-4-7-16-12(2)10-13/h4,7,10,14H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of ethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-methyl-4-pyridinyl)methyl]piperidine-4-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.17, 4 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)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 21050427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).