Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate

Name: Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₂ClNO₃ — CID 27186861

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

IUPACethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate

SMILESCCOC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1

InChIInChI=1S/C16H22ClNO3/c1-2-20-16(19)13-7-9-18(10-8-13)11-12-21-15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3

InChIKeyQNZXKGPFYZGLMK-UHFFFAOYSA-N

MW311.81 g/mol

LogP2.99

Rot. Bonds6

About Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate

Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate (PubChem CID 27186861) has the molecular formula C₁₆H₂₂ClNO₃ and a molecular weight of 311.81 g/mol. Its IUPAC name is ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name	Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
PubChem CID	27186861
Molecular Formula	C₁₆H₂₂ClNO₃
Molecular Weight	311.81 g/mol
Exact Mass	311.13
IUPAC Name	ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
SMILES	CCOC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1
InChI	InChI=1S/C16H22ClNO3/c1-2-20-16(19)13-7-9-18(10-8-13)11-12-21-15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3
InChIKey	QNZXKGPFYZGLMK-UHFFFAOYSA-N
XLogP	2.99
TPSA	38.77 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.81
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate?

The IUPAC name of Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate (CID 27186861) is ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate.

What is the SMILES notation for Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate?

The canonical SMILES for Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1.

What is the InChIKey of Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate?

The InChIKey is QNZXKGPFYZGLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-2-20-16(19)13-7-9-18(10-8-13)11-12-21-15-5-3-14(17)4-6-15/h3-6,13H,2,7-12H2,1H3.

What are the key properties of Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate?

Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate has a molecular weight of 311.81 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 27186861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 27186861 — identifiers, structure, computed properties (public domain)

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