4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline

C24H42N4OP+ — CID 7124466

IUPAC4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H]([NH+]2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C24H41N4OP/c1-25(2)23-14-12-22(13-15-23)24(26-16-6-3-7-17-26)30(29,27-18-8-4-9-19-27)28-20-10-5-11-21-28/h12-15,24H,3-11,16-21H2,1-2H3/p+1/t24-/m0/s1
InChIKeyWSXIGQHISJGPMG-DEOSSOPVSA-O
MW433.60 g/mol
LogP3.98
Rot. Bonds6

About 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline

4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline (PubChem CID 7124466) has the molecular formula C24H42N4OP+ and a molecular weight of 433.60 g/mol. Its IUPAC name is 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline
PubChem CID7124466
Molecular FormulaC24H42N4OP+
Molecular Weight433.60 g/mol
Exact Mass433.31
IUPAC Name4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H]([NH+]2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1
InChIInChI=1S/C24H41N4OP/c1-25(2)23-14-12-22(13-15-23)24(26-16-6-3-7-17-26)30(29,27-18-8-4-9-19-27)28-20-10-5-11-21-28/h12-15,24H,3-11,16-21H2,1-2H3/p+1/t24-/m0/s1
InChIKeyWSXIGQHISJGPMG-DEOSSOPVSA-O
XLogP3.98
TPSA31.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.98
H-Bond Donors ≤ 51
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 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline 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 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline (CID 7124466) is 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline is CN(C)c1ccc([C@@H]([NH+]2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1.
What is the InChIKey of 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline?
The InChIKey is WSXIGQHISJGPMG-DEOSSOPVSA-O. The full InChI is InChI=1S/C24H41N4OP/c1-25(2)23-14-12-22(13-15-23)24(26-16-6-3-7-17-26)30(29,27-18-8-4-9-19-27)28-20-10-5-11-21-28/h12-15,24H,3-11,16-21H2,1-2H3/p+1/t24-/m0/s1.
What are the key properties of 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline?
4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline has a molecular weight of 433.60 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 7124466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).