8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane

C18H34N2 — CID 129258369

IUPAC8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCC1CC(C)CN(C2CC3CCC(C2)N3C(C)(C)C)C1
InChIInChI=1S/C18H34N2/c1-13-8-14(2)12-19(11-13)17-9-15-6-7-16(10-17)20(15)18(3,4)5/h13-17H,6-12H2,1-5H3
InChIKeyVGDLZLGRLMQHRB-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.76
Rot. Bonds1

About 8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane

8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane (PubChem CID 129258369) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane
PubChem CID129258369
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane
SMILESCC1CC(C)CN(C2CC3CCC(C2)N3C(C)(C)C)C1
InChIInChI=1S/C18H34N2/c1-13-8-14(2)12-19(11-13)17-9-15-6-7-16(10-17)20(15)18(3,4)5/h13-17H,6-12H2,1-5H3
InChIKeyVGDLZLGRLMQHRB-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane (CID 129258369) is 8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane is CC1CC(C)CN(C2CC3CCC(C2)N3C(C)(C)C)C1.
What is the InChIKey of 8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane?
The InChIKey is VGDLZLGRLMQHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-13-8-14(2)12-19(11-13)17-9-15-6-7-16(10-17)20(15)18(3,4)5/h13-17H,6-12H2,1-5H3.
What are the key properties of 8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane?
8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane has a molecular weight of 278.48 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3-(3,5-dimethylpiperidin-1-yl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 129258369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).