1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine

Name: 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₂₄N₂O₂ — CID 141085631

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

IUPAC1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine

SMILESCOC1=C(OCCN2CCN(C)CC2)CCC=C1

InChIInChI=1S/C14H24N2O2/c1-15-7-9-16(10-8-15)11-12-18-14-6-4-3-5-13(14)17-2/h3,5H,4,6-12H2,1-2H3

InChIKeyNEZRDHCAMYWEFM-UHFFFAOYSA-N

MW252.36 g/mol

LogP1.46

Rot. Bonds5

About 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine

1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine (PubChem CID 141085631) has the molecular formula C₁₄H₂₄N₂O₂ and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine.

Molecular Properties

Compound Name	1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine
PubChem CID	141085631
Molecular Formula	C₁₄H₂₄N₂O₂
Molecular Weight	252.36 g/mol
Exact Mass	252.18
IUPAC Name	1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine
SMILES	COC1=C(OCCN2CCN(C)CC2)CCC=C1
InChI	InChI=1S/C14H24N2O2/c1-15-7-9-16(10-8-15)11-12-18-14-6-4-3-5-13(14)17-2/h3,5H,4,6-12H2,1-2H3
InChIKey	NEZRDHCAMYWEFM-UHFFFAOYSA-N
XLogP	1.46
TPSA	24.94 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	18
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	252.36
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine?

The IUPAC name of 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine (CID 141085631) is 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine.

What is the SMILES notation for 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine?

The canonical SMILES for 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine is COC1=C(OCCN2CCN(C)CC2)CCC=C1.

What is the InChIKey of 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine?

The InChIKey is NEZRDHCAMYWEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-15-7-9-16(10-8-15)11-12-18-14-6-4-3-5-13(14)17-2/h3,5H,4,6-12H2,1-2H3.

What are the key properties of 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine?

1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine has a molecular weight of 252.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-methoxycyclohexa-1,3-dien-1-yl)oxyethyl]-4-methylpiperazine is sourced from PubChem (CID 141085631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 141085631 — identifiers, structure, computed properties (public domain)

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