1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine

C16H32N2 — CID 67600451

IUPAC1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine
SMILESC1CN2CCC1CC2.CC1(C)CCCC(C)(C)N1
InChIInChI=1S/C9H19N.C7H13N/c1-8(2)6-5-7-9(3,4)10-8;1-4-8-5-2-7(1)3-6-8/h10H,5-7H2,1-4H3;7H,1-6H2
InChIKeyJWCDMJUHNUGZOQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds

About 1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine

1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine (PubChem CID 67600451) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine
PubChem CID67600451
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine
SMILESC1CN2CCC1CC2.CC1(C)CCCC(C)(C)N1
InChIInChI=1S/C9H19N.C7H13N/c1-8(2)6-5-7-9(3,4)10-8;1-4-8-5-2-7(1)3-6-8/h10H,5-7H2,1-4H3;7H,1-6H2
InChIKeyJWCDMJUHNUGZOQ-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine (CID 67600451) is 1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine is C1CN2CCC1CC2.CC1(C)CCCC(C)(C)N1.
What is the InChIKey of 1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine?
The InChIKey is JWCDMJUHNUGZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C7H13N/c1-8(2)6-5-7-9(3,4)10-8;1-4-8-5-2-7(1)3-6-8/h10H,5-7H2,1-4H3;7H,1-6H2.
What are the key properties of 1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine?
1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.2]octane;2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 67600451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).