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

C24H42N4OP+ — CID 7124467

IUPAC4-[(R)-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-/m1/s1
InChIKeyWSXIGQHISJGPMG-XMMPIXPASA-O
MW433.60 g/mol
LogP3.98
Rot. Bonds6

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

4-[(R)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline (PubChem CID 7124467) has the molecular formula C24H42N4OP+ and a molecular weight of 433.60 g/mol. Its IUPAC name is 4-[(R)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(R)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline
PubChem CID7124467
Molecular FormulaC24H42N4OP+
Molecular Weight433.60 g/mol
Exact Mass433.31
IUPAC Name4-[(R)-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-/m1/s1
InChIKeyWSXIGQHISJGPMG-XMMPIXPASA-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'}

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Related Compounds

4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline
CID 7124466
4-[(S)-di(piperidin-1-yl)phosphoryl-piperidin-1-ylmethyl]-N,N-dimethylaniline
CID 1281440
N,N-dimethyl-4-[(R)-[phenyl(piperidin-1-yl)phosphoryl]-piperidin-1-ylmethyl]aniline
CID 11893861
N,N-dimethyl-4-[(tripyrrolidin-1-yl-λ5-phosphanylidene)amino]aniline
CID 10690887
4-[2-(azepan-1-yl)-1-chloroethyl]-N,N-dimethylaniline
CID 82215457
4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 82215482
4-(2-amino-1-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 16642839
2-chloro-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]benzamide
CID 7496217
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]cyclopentanecarboxamide
CID 7496290
3-[4-(dimethylamino)phenyl]-3-pyrrolidin-1-ylpropanoic acid
CID 82133328
[[4-(dimethylamino)phenyl]-hydroxymethyl]phosphonic acid
CID 19356884
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]-4-methylbenzamide
CID 7496511

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(R)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline (CID 7124467) is 4-[(R)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(R)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(R)-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-[(R)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline?
The InChIKey is WSXIGQHISJGPMG-XMMPIXPASA-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-/m1/s1.
What are the key properties of 4-[(R)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline?
4-[(R)-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-[(R)-di(piperidin-1-yl)phosphoryl-piperidin-1-ium-1-ylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 7124467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).