1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine

C18H36N2 — CID 21049126

IUPAC1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine
SMILESCC(C)(C)N1CCC(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-17(2,3)19-11-7-15(8-12-19)16-9-13-20(14-10-16)18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyVHQMLYLOISXGIN-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.01
Rot. Bonds1

About 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine

1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine (PubChem CID 21049126) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine
PubChem CID21049126
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine
SMILESCC(C)(C)N1CCC(C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C18H36N2/c1-17(2,3)19-11-7-15(8-12-19)16-9-13-20(14-10-16)18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyVHQMLYLOISXGIN-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine?
The IUPAC name of 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine (CID 21049126) is 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine.
What is the SMILES notation for 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine?
The canonical SMILES for 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine is CC(C)(C)N1CCC(C2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine?
The InChIKey is VHQMLYLOISXGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-17(2,3)19-11-7-15(8-12-19)16-9-13-20(14-10-16)18(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine?
1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine has a molecular weight of 280.50 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)piperidine is sourced from PubChem (CID 21049126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).