1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine

C18H36N2 — CID 134524957

IUPAC1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine
SMILESCC(C)(C)C1CCCC(C2CCCN(C(C)(C)C)C2)N1
InChIInChI=1S/C18H36N2/c1-17(2,3)16-11-7-10-15(19-16)14-9-8-12-20(13-14)18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyRVLGMYJHJOSJCE-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.05
Rot. Bonds1

About 1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine

1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine (PubChem CID 134524957) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine
PubChem CID134524957
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine
SMILESCC(C)(C)C1CCCC(C2CCCN(C(C)(C)C)C2)N1
InChIInChI=1S/C18H36N2/c1-17(2,3)16-11-7-10-15(19-16)14-9-8-12-20(13-14)18(4,5)6/h14-16,19H,7-13H2,1-6H3
InChIKeyRVLGMYJHJOSJCE-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine?
The IUPAC name of 1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine (CID 134524957) is 1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine.
What is the SMILES notation for 1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine?
The canonical SMILES for 1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine is CC(C)(C)C1CCCC(C2CCCN(C(C)(C)C)C2)N1.
What is the InChIKey of 1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine?
The InChIKey is RVLGMYJHJOSJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-17(2,3)16-11-7-10-15(19-16)14-9-8-12-20(13-14)18(4,5)6/h14-16,19H,7-13H2,1-6H3.
What are the key properties of 1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine?
1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine has a molecular weight of 280.50 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(6-tert-butylpiperidin-2-yl)piperidine is sourced from PubChem (CID 134524957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).