1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride

C20H27ClN2O — CID 2993546

IUPAC1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride
SMILESCN1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-21-11-13-22(14-12-21)15-16-23-20-9-7-19(8-10-20)17-18-5-3-2-4-6-18;/h2-10H,11-17H2,1H3;1H
InChIKeyOLLYNYOUSONXSY-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.33
Rot. Bonds6

About 1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride

1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride (PubChem CID 2993546) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride
PubChem CID2993546
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride
SMILESCN1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-21-11-13-22(14-12-21)15-16-23-20-9-7-19(8-10-20)17-18-5-3-2-4-6-18;/h2-10H,11-17H2,1H3;1H
InChIKeyOLLYNYOUSONXSY-UHFFFAOYSA-N
XLogP3.33
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride (CID 2993546) is 1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride is CN1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1.Cl.
What is the InChIKey of 1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
The InChIKey is OLLYNYOUSONXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-21-11-13-22(14-12-21)15-16-23-20-9-7-19(8-10-20)17-18-5-3-2-4-6-18;/h2-10H,11-17H2,1H3;1H.
What are the key properties of 1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride?
1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylphenoxy)ethyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 2993546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).