1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride

C19H25ClN2O — CID 2996578

IUPAC1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride
SMILESCN1CCN(CCOc2ccc(-c3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-20-11-13-21(14-12-20)15-16-22-19-9-7-18(8-10-19)17-5-3-2-4-6-17;/h2-10H,11-16H2,1H3;1H
InChIKeyQGLGDAIWHONKHK-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.40
Rot. Bonds5

About 1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride

1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride (PubChem CID 2996578) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride
PubChem CID2996578
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride
SMILESCN1CCN(CCOc2ccc(-c3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-20-11-13-21(14-12-20)15-16-22-19-9-7-18(8-10-19)17-5-3-2-4-6-17;/h2-10H,11-16H2,1H3;1H
InChIKeyQGLGDAIWHONKHK-UHFFFAOYSA-N
XLogP3.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride (CID 2996578) is 1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride is CN1CCN(CCOc2ccc(-c3ccccc3)cc2)CC1.Cl.
What is the InChIKey of 1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride?
The InChIKey is QGLGDAIWHONKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-20-11-13-21(14-12-20)15-16-22-19-9-7-18(8-10-19)17-5-3-2-4-6-17;/h2-10H,11-16H2,1H3;1H.
What are the key properties of 1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride?
1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 2996578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).