Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate

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

C₁₆H₁₈N₂O₂ — CID 155535743

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

IUPACethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate

SMILESCCOC(=O)N1CCC(=CC#Cc2ccccn2)CC1

InChIInChI=1S/C16H18N2O2/c1-2-20-16(19)18-12-9-14(10-13-18)6-5-8-15-7-3-4-11-17-15/h3-4,6-7,11H,2,9-10,12-13H2,1H3

InChIKeyLMYITNSUMJTWHP-UHFFFAOYSA-N

MW270.33 g/mol

LogP2.61

Rot. Bonds1

About Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate

Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate (PubChem CID 155535743) has the molecular formula C₁₆H₁₈N₂O₂ and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Name	Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate
PubChem CID	155535743
Molecular Formula	C₁₆H₁₈N₂O₂
Molecular Weight	270.33 g/mol
Exact Mass	270.14
IUPAC Name	ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate
SMILES	CCOC(=O)N1CCC(=CC#Cc2ccccn2)CC1
InChI	InChI=1S/C16H18N2O2/c1-2-20-16(19)18-12-9-14(10-13-18)6-5-8-15-7-3-4-11-17-15/h3-4,6-7,11H,2,9-10,12-13H2,1H3
InChIKey	LMYITNSUMJTWHP-UHFFFAOYSA-N
XLogP	2.61
TPSA	42.43 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	270.33
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate?

The IUPAC name of Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate (CID 155535743) is ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate.

What is the SMILES notation for Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate?

The canonical SMILES for Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate is CCOC(=O)N1CCC(=CC#Cc2ccccn2)CC1.

What is the InChIKey of Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate?

The InChIKey is LMYITNSUMJTWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-20-16(19)18-12-9-14(10-13-18)6-5-8-15-7-3-4-11-17-15/h3-4,6-7,11H,2,9-10,12-13H2,1H3.

What are the key properties of Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate?

Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate is sourced from PubChem (CID 155535743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155535743 — identifiers, structure, computed properties (public domain)

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