2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

C16H32N2O6P2 — CID 164745931

IUPAC2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(CN2CCN(CP3(=O)OCC(C)(C)CO3)CC2)OC1
InChIInChI=1S/C16H32N2O6P2/c1-15(2)9-21-25(19,22-10-15)13-17-5-7-18(8-6-17)14-26(20)23-11-16(3,4)12-24-26/h5-14H2,1-4H3
InChIKeyHJYYUUFXZSRRRK-UHFFFAOYSA-N
MW410.39 g/mol
LogP3.05
Rot. Bonds4

About 2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 164745931) has the molecular formula C16H32N2O6P2 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID164745931
Molecular FormulaC16H32N2O6P2
Molecular Weight410.39 g/mol
Exact Mass410.17
IUPAC Name2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESCC1(C)COP(=O)(CN2CCN(CP3(=O)OCC(C)(C)CO3)CC2)OC1
InChIInChI=1S/C16H32N2O6P2/c1-15(2)9-21-25(19,22-10-15)13-17-5-7-18(8-6-17)14-26(20)23-11-16(3,4)12-24-26/h5-14H2,1-4H3
InChIKeyHJYYUUFXZSRRRK-UHFFFAOYSA-N
XLogP3.05
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide;[4-(dimethylphosphorylmethyl)piperazin-1-yl]methyl-methylphosphinic acid
CID 165025985
(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
CID 18981617
1-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)-N,N-bis[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]methanamine
CID 102064719
5,5-dimethyl-2-(methylsulfanylmethyl)-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23415598
2-[2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]ethoxy]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 54442923
2-tert-butyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23261978
2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 550049
N-(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)formamide
CID 71372379
N-butyl-5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-amine
CID 10489160
2-[(5,5-dimethyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 23416328
2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)oxy]butan-1-ol
CID 54307418
2-[[2-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
CID 59747014

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 164745931) is 2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is CC1(C)COP(=O)(CN2CCN(CP3(=O)OCC(C)(C)CO3)CC2)OC1.
What is the InChIKey of 2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is HJYYUUFXZSRRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O6P2/c1-15(2)9-21-25(19,22-10-15)13-17-5-7-18(8-6-17)14-26(20)23-11-16(3,4)12-24-26/h5-14H2,1-4H3.
What are the key properties of 2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 410.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methyl]piperazin-1-yl]methyl]-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 164745931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).