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

C15H22N2O2 — CID 10106780

IUPACethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ncccc2C)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)13-6-9-17(10-7-13)11-14-12(2)5-4-8-16-14/h4-5,8,13H,3,6-7,9-11H2,1-2H3
InChIKeyHXLMGJSUQUGVQS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.17
Rot. Bonds4

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

ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate (PubChem CID 10106780) 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-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
PubChem CID10106780
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ncccc2C)CC1
InChIInChI=1S/C15H22N2O2/c1-3-19-15(18)13-6-9-17(10-7-13)11-14-12(2)5-4-8-16-14/h4-5,8,13H,3,6-7,9-11H2,1-2H3
InChIKeyHXLMGJSUQUGVQS-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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Related Compounds

ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
CID 112550209
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
methyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylate
CID 112550259
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
ethyl 1-[(6-amino-3-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62892331
ethyl 1-[(4-chloro-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 79255884
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
ethyl 2-(4-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylate
CID 71741541
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 87929233
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate (CID 10106780) is ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ncccc2C)CC1.
What is the InChIKey of ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate?
The InChIKey is HXLMGJSUQUGVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-19-15(18)13-6-9-17(10-7-13)11-14-12(2)5-4-8-16-14/h4-5,8,13H,3,6-7,9-11H2,1-2H3.
What are the key properties of ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(3-methyl-2-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-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 10106780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).