2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide

C27H51N4OP — CID 20547117

IUPAC2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide
SMILESC=CCN1C(C)(C)CC(N2CCN(C3CC(C)(C)N(CC=C)C(C)(C)C3)P2(C)=O)CC1(C)C
InChIInChI=1S/C27H51N4OP/c1-12-14-30-24(3,4)18-22(19-25(30,5)6)28-16-17-29(33(28,11)32)23-20-26(7,8)31(15-13-2)27(9,10)21-23/h12-13,22-23H,1-2,14-21H2,3-11H3
InChIKeyJOWWJUDYNUONCQ-UHFFFAOYSA-N
MW478.71 g/mol
LogP5.84
Rot. Bonds6

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

2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide (PubChem CID 20547117) has the molecular formula C27H51N4OP and a molecular weight of 478.71 g/mol. Its IUPAC name is 2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide.

Molecular Properties

Compound Name2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide
PubChem CID20547117
Molecular FormulaC27H51N4OP
Molecular Weight478.71 g/mol
Exact Mass478.38
IUPAC Name2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide
SMILESC=CCN1C(C)(C)CC(N2CCN(C3CC(C)(C)N(CC=C)C(C)(C)C3)P2(C)=O)CC1(C)C
InChIInChI=1S/C27H51N4OP/c1-12-14-30-24(3,4)18-22(19-25(30,5)6)28-16-17-29(33(28,11)32)23-20-26(7,8)31(15-13-2)27(9,10)21-23/h12-13,22-23H,1-2,14-21H2,3-11H3
InChIKeyJOWWJUDYNUONCQ-UHFFFAOYSA-N
XLogP5.84
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.71
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
The IUPAC name of 2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide (CID 20547117) is 2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide.
What is the SMILES notation for 2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
The canonical SMILES for 2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide is C=CCN1C(C)(C)CC(N2CCN(C3CC(C)(C)N(CC=C)C(C)(C)C3)P2(C)=O)CC1(C)C.
What is the InChIKey of 2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
The InChIKey is JOWWJUDYNUONCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51N4OP/c1-12-14-30-24(3,4)18-22(19-25(30,5)6)28-16-17-29(33(28,11)32)23-20-26(7,8)31(15-13-2)27(9,10)21-23/h12-13,22-23H,1-2,14-21H2,3-11H3.
What are the key properties of 2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide?
2-methyl-1,3-bis(2,2,6,6-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide has a molecular weight of 478.71 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 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-tetramethyl-1-prop-2-enylpiperidin-4-yl)-1,3,2λ5-diazaphospholidine 2-oxide is sourced from PubChem (CID 20547117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).