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

C22H31ClN2O2 — CID 2995910

IUPAC1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
SMILESCN1CCN(CCOCCOc2ccc(Cc3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-23-11-13-24(14-12-23)15-16-25-17-18-26-22-9-7-21(8-10-22)19-20-5-3-2-4-6-20;/h2-10H,11-19H2,1H3;1H
InChIKeyNZFGOPGYNLKBEU-UHFFFAOYSA-N
MW390.95 g/mol
LogP3.34
Rot. Bonds9

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

1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride (PubChem CID 2995910) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.95 g/mol. Its IUPAC name is 1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
PubChem CID2995910
Molecular FormulaC22H31ClN2O2
Molecular Weight390.95 g/mol
Exact Mass390.21
IUPAC Name1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
SMILESCN1CCN(CCOCCOc2ccc(Cc3ccccc3)cc2)CC1.Cl
InChIInChI=1S/C22H30N2O2.ClH/c1-23-11-13-24(14-12-23)15-16-25-17-18-26-22-9-7-21(8-10-22)19-20-5-3-2-4-6-20;/h2-10H,11-19H2,1H3;1H
InChIKeyNZFGOPGYNLKBEU-UHFFFAOYSA-N
XLogP3.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.95
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazine
CID 2994905
1-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]-4-methylpiperazine;oxalic acid
CID 2888407
1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2270536
1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2996315
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643
1-benzyl-4-[2-(2-phenoxyethoxy)ethyl]piperazine;oxalic acid
CID 44828390
1-methyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]piperazine
CID 2923305
N-methyl-3-[4-[2-(2-phenoxyethoxy)ethyl]piperazin-1-yl]prop-1-en-2-amine
CID 142409443
1-[3-(4-benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride (CID 2995910) is 1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride is CN1CCN(CCOCCOc2ccc(Cc3ccccc3)cc2)CC1.Cl.
What is the InChIKey of 1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride?
The InChIKey is NZFGOPGYNLKBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2.ClH/c1-23-11-13-24(14-12-23)15-16-25-17-18-26-22-9-7-21(8-10-22)19-20-5-3-2-4-6-20;/h2-10H,11-19H2,1H3;1H.
What are the key properties of 1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride?
1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride has a molecular weight of 390.95 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-benzylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 2995910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).