1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine

C42H92N4 — CID 157085275

IUPAC1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine
SMILESC.C.CC1CC(C)(C)N(C)C1(C)C.CC1CCC(C)(C)N(C)C1(C)C.CN1C(C)(C)CCC1(C)C.CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C11H23N.2C10H21N.C9H19N.2CH4/c1-9-7-8-10(2,3)12(6)11(9,4)5;1-8-7-9(2,3)11(6)10(8,4)5;1-9(2)7-6-8-10(3,4)11(9)5;1-8(2)6-7-9(3,4)10(8)5;;/h9H,7-8H2,1-6H3;8H,7H2,1-6H3;6-8H2,1-5H3;6-7H2,1-5H3;2*1H4
InChIKeyADZZZHILRWZWFN-UHFFFAOYSA-N
MW653.23 g/mol
LogP11.62
Rot. Bonds

About 1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine

1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine (PubChem CID 157085275) has the molecular formula C42H92N4 and a molecular weight of 653.23 g/mol. Its IUPAC name is 1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine.

Molecular Properties

Compound Name1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine
PubChem CID157085275
Molecular FormulaC42H92N4
Molecular Weight653.23 g/mol
Exact Mass652.73
IUPAC Name1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine
SMILESC.C.CC1CC(C)(C)N(C)C1(C)C.CC1CCC(C)(C)N(C)C1(C)C.CN1C(C)(C)CCC1(C)C.CN1C(C)(C)CCCC1(C)C
InChIInChI=1S/C11H23N.2C10H21N.C9H19N.2CH4/c1-9-7-8-10(2,3)12(6)11(9,4)5;1-8-7-9(2,3)11(6)10(8,4)5;1-9(2)7-6-8-10(3,4)11(9)5;1-8(2)6-7-9(3,4)10(8)5;;/h9H,7-8H2,1-6H3;8H,7H2,1-6H3;6-8H2,1-5H3;6-7H2,1-5H3;2*1H4
InChIKeyADZZZHILRWZWFN-UHFFFAOYSA-N
XLogP11.62
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.23
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine?
The IUPAC name of 1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine (CID 157085275) is 1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine.
What is the SMILES notation for 1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine?
The canonical SMILES for 1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine is C.C.CC1CC(C)(C)N(C)C1(C)C.CC1CCC(C)(C)N(C)C1(C)C.CN1C(C)(C)CCC1(C)C.CN1C(C)(C)CCCC1(C)C.
What is the InChIKey of 1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine?
The InChIKey is ADZZZHILRWZWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.2C10H21N.C9H19N.2CH4/c1-9-7-8-10(2,3)12(6)11(9,4)5;1-8-7-9(2,3)11(6)10(8,4)5;1-9(2)7-6-8-10(3,4)11(9)5;1-8(2)6-7-9(3,4)10(8)5;;/h9H,7-8H2,1-6H3;8H,7H2,1-6H3;6-8H2,1-5H3;6-7H2,1-5H3;2*1H4.
What are the key properties of 1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine?
1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine has a molecular weight of 653.23 g/mol, XLogP of 11.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,6,6-hexamethylpiperidine;1,2,2,3,5,5-hexamethylpyrrolidine;methane;1,2,2,6,6-pentamethylpiperidine;1,2,2,5,5-pentamethylpyrrolidine is sourced from PubChem (CID 157085275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).