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

C24H41N4OP — CID 1281440

IUPAC4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H](N2CCCCC2)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/t24-/m0/s1
InChIKeyWSXIGQHISJGPMG-DEOSSOPVSA-N
MW432.59 g/mol
LogP5.40
Rot. Bonds6

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

4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline (PubChem CID 1281440) has the molecular formula C24H41N4OP and a molecular weight of 432.59 g/mol. Its IUPAC name is 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline
PubChem CID1281440
Molecular FormulaC24H41N4OP
Molecular Weight432.59 g/mol
Exact Mass432.30
IUPAC Name4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc([C@@H](N2CCCCC2)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/t24-/m0/s1
InChIKeyWSXIGQHISJGPMG-DEOSSOPVSA-N
XLogP5.40
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.59
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline (CID 1281440) is 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline is CN(C)c1ccc([C@@H](N2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1.
What is the InChIKey of 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline?
The InChIKey is WSXIGQHISJGPMG-DEOSSOPVSA-N. 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/t24-/m0/s1.
What are the key properties of 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline?
4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline has a molecular weight of 432.59 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 1281440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).