1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride

C20H28ClN3O2 — CID 3059796

IUPAC1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCCOC(CN1CCN(c2ccccc2OC)CC1)c1ccccn1.Cl
InChIInChI=1S/C20H27N3O2.ClH/c1-3-25-20(17-8-6-7-11-21-17)16-22-12-14-23(15-13-22)18-9-4-5-10-19(18)24-2;/h4-11,20H,3,12-16H2,1-2H3;1H
InChIKeyOMXMAVDHJUVIEQ-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.41
Rot. Bonds7

About 1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride

1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 3059796) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID3059796
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCCOC(CN1CCN(c2ccccc2OC)CC1)c1ccccn1.Cl
InChIInChI=1S/C20H27N3O2.ClH/c1-3-25-20(17-8-6-7-11-21-17)16-22-12-14-23(15-13-22)18-9-4-5-10-19(18)24-2;/h4-11,20H,3,12-16H2,1-2H3;1H
InChIKeyOMXMAVDHJUVIEQ-UHFFFAOYSA-N
XLogP3.41
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride (CID 3059796) is 1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride is CCOC(CN1CCN(c2ccccc2OC)CC1)c1ccccn1.Cl.
What is the InChIKey of 1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is OMXMAVDHJUVIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.ClH/c1-3-25-20(17-8-6-7-11-21-17)16-22-12-14-23(15-13-22)18-9-4-5-10-19(18)24-2;/h4-11,20H,3,12-16H2,1-2H3;1H.
What are the key properties of 1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride?
1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-pyridin-2-ylethyl)-4-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 3059796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).