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

Name: Ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₀N₂O₂ — CID 113331444

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate
PubChem CID	113331444
Molecular Formula	C₁₄H₂₀N₂O₂
Molecular Weight	248.33 g/mol
Exact Mass	248.15
IUPAC Name	ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate
SMILES	CCOC(=O)C1CCCCN1c1ccncc1C
InChI	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
InChIKey	WSHLHUUFEORPOA-UHFFFAOYSA-N
XLogP	2.31
TPSA	42.43 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.33
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 113331444 — identifiers, structure, computed properties (public domain)

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