N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine

C22H31N3O — CID 45488923

IUPACN-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine
SMILESCOCCNCCN1CCN(c2ccc(C)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C22H31N3O/c1-19-8-10-21(11-9-19)25-16-15-24(14-12-23-13-17-26-2)22(18-25)20-6-4-3-5-7-20/h3-11,22-23H,12-18H2,1-2H3/t22-/m1/s1
InChIKeyQTZXRWUKHKSHFF-JOCHJYFZSA-N
MW353.51 g/mol
LogP3.09
Rot. Bonds8

About N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine

N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine (PubChem CID 45488923) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine
PubChem CID45488923
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine
SMILESCOCCNCCN1CCN(c2ccc(C)cc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C22H31N3O/c1-19-8-10-21(11-9-19)25-16-15-24(14-12-23-13-17-26-2)22(18-25)20-6-4-3-5-7-20/h3-11,22-23H,12-18H2,1-2H3/t22-/m1/s1
InChIKeyQTZXRWUKHKSHFF-JOCHJYFZSA-N
XLogP3.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine (CID 45488923) is N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine is COCCNCCN1CCN(c2ccc(C)cc2)C[C@@H]1c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine?
The InChIKey is QTZXRWUKHKSHFF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H31N3O/c1-19-8-10-21(11-9-19)25-16-15-24(14-12-23-13-17-26-2)22(18-25)20-6-4-3-5-7-20/h3-11,22-23H,12-18H2,1-2H3/t22-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine?
N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine has a molecular weight of 353.51 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(2S)-4-(4-methylphenyl)-2-phenylpiperazin-1-yl]ethanamine is sourced from PubChem (CID 45488923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).