2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide

C21H43N4OP — CID 20547116

IUPAC2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCC1(C)CC(N2CCN(C3CC(C)(C)NC(C)(C)C3)P2(C)=O)CC(C)(C)N1
InChIInChI=1S/C21H43N4OP/c1-18(2)12-16(13-19(3,4)22-18)24-10-11-25(27(24,9)26)17-14-20(5,6)23-21(7,8)15-17/h16-17,22-23H,10-15H2,1-9H3
InChIKeyBHHXAGOQSBRXPZ-UHFFFAOYSA-N
MW398.58 g/mol
LogP4.05
Rot. Bonds2

About 2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide

2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 20547116) has the molecular formula C21H43N4OP and a molecular weight of 398.58 g/mol. Its IUPAC name is 2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID20547116
Molecular FormulaC21H43N4OP
Molecular Weight398.58 g/mol
Exact Mass398.32
IUPAC Name2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide
SMILESCC1(C)CC(N2CCN(C3CC(C)(C)NC(C)(C)C3)P2(C)=O)CC(C)(C)N1
InChIInChI=1S/C21H43N4OP/c1-18(2)12-16(13-19(3,4)22-18)24-10-11-25(27(24,9)26)17-14-20(5,6)23-21(7,8)15-17/h16-17,22-23H,10-15H2,1-9H3
InChIKeyBHHXAGOQSBRXPZ-UHFFFAOYSA-N
XLogP4.05
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of 2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide (CID 20547116) is 2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for 2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for 2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide is CC1(C)CC(N2CCN(C3CC(C)(C)NC(C)(C)C3)P2(C)=O)CC(C)(C)N1.
What is the InChIKey of 2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is BHHXAGOQSBRXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N4OP/c1-18(2)12-16(13-19(3,4)22-18)24-10-11-25(27(24,9)26)17-14-20(5,6)23-21(7,8)15-17/h16-17,22-23H,10-15H2,1-9H3.
What are the key properties of 2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 398.58 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 20547116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).