2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline

C26H31N2P — CID 145030341

IUPAC2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline
SMILESCN(C)c1ccc(CN2CCCCC2)cc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31N2P/c1-27(2)25-17-16-22(21-28-18-10-5-11-19-28)20-26(25)29(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-4,6-9,12-17,20H,5,10-11,18-19,21H2,1-2H3
InChIKeyZZTZBIQSZVJKHA-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.50
Rot. Bonds6

About 2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline

2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline (PubChem CID 145030341) has the molecular formula C26H31N2P and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline.

Molecular Properties

Compound Name2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline
PubChem CID145030341
Molecular FormulaC26H31N2P
Molecular Weight402.52 g/mol
Exact Mass402.22
IUPAC Name2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline
SMILESCN(C)c1ccc(CN2CCCCC2)cc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H31N2P/c1-27(2)25-17-16-22(21-28-18-10-5-11-19-28)20-26(25)29(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-4,6-9,12-17,20H,5,10-11,18-19,21H2,1-2H3
InChIKeyZZTZBIQSZVJKHA-UHFFFAOYSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline 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 2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline?
The IUPAC name of 2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline (CID 145030341) is 2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline.
What is the SMILES notation for 2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline?
The canonical SMILES for 2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline is CN(C)c1ccc(CN2CCCCC2)cc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline?
The InChIKey is ZZTZBIQSZVJKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N2P/c1-27(2)25-17-16-22(21-28-18-10-5-11-19-28)20-26(25)29(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-4,6-9,12-17,20H,5,10-11,18-19,21H2,1-2H3.
What are the key properties of 2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline?
2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline has a molecular weight of 402.52 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphanyl-N,N-dimethyl-4-(piperidin-1-ylmethyl)aniline is sourced from PubChem (CID 145030341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).