4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine

C18H35NO — CID 167157966

IUPAC4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine
SMILESCC(C)(C)C1CCCC(CC(C)(C)C2CCNCC2)O1
InChIInChI=1S/C18H35NO/c1-17(2,3)16-8-6-7-15(20-16)13-18(4,5)14-9-11-19-12-10-14/h14-16,19H,6-13H2,1-5H3
InChIKeyILMLIDJMYLJZCC-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds3

About 4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine

4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine (PubChem CID 167157966) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine
PubChem CID167157966
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine
SMILESCC(C)(C)C1CCCC(CC(C)(C)C2CCNCC2)O1
InChIInChI=1S/C18H35NO/c1-17(2,3)16-8-6-7-15(20-16)13-18(4,5)14-9-11-19-12-10-14/h14-16,19H,6-13H2,1-5H3
InChIKeyILMLIDJMYLJZCC-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine?
The IUPAC name of 4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine (CID 167157966) is 4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine.
What is the SMILES notation for 4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine?
The canonical SMILES for 4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine is CC(C)(C)C1CCCC(CC(C)(C)C2CCNCC2)O1.
What is the InChIKey of 4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine?
The InChIKey is ILMLIDJMYLJZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-17(2,3)16-8-6-7-15(20-16)13-18(4,5)14-9-11-19-12-10-14/h14-16,19H,6-13H2,1-5H3.
What are the key properties of 4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine?
4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-tert-butyloxan-2-yl)-2-methylpropan-2-yl]piperidine is sourced from PubChem (CID 167157966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).