4-tert-butyloxane;4-tert-butylpiperidine

C18H37NO — CID 161230933

IUPAC4-tert-butyloxane;4-tert-butylpiperidine
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)C1CCOCC1
InChIInChI=1S/C9H19N.C9H18O/c2*1-9(2,3)8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyUYSVETKOADCSPI-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.49
Rot. Bonds

About 4-tert-butyloxane;4-tert-butylpiperidine

4-tert-butyloxane;4-tert-butylpiperidine (PubChem CID 161230933) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 4-tert-butyloxane;4-tert-butylpiperidine.

Molecular Properties

Compound Name4-tert-butyloxane;4-tert-butylpiperidine
PubChem CID161230933
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name4-tert-butyloxane;4-tert-butylpiperidine
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)C1CCOCC1
InChIInChI=1S/C9H19N.C9H18O/c2*1-9(2,3)8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyUYSVETKOADCSPI-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyloxane;4-tert-butylpiperidine?
The IUPAC name of 4-tert-butyloxane;4-tert-butylpiperidine (CID 161230933) is 4-tert-butyloxane;4-tert-butylpiperidine.
What is the SMILES notation for 4-tert-butyloxane;4-tert-butylpiperidine?
The canonical SMILES for 4-tert-butyloxane;4-tert-butylpiperidine is CC(C)(C)C1CCNCC1.CC(C)(C)C1CCOCC1.
What is the InChIKey of 4-tert-butyloxane;4-tert-butylpiperidine?
The InChIKey is UYSVETKOADCSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C9H18O/c2*1-9(2,3)8-4-6-10-7-5-8/h8,10H,4-7H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 4-tert-butyloxane;4-tert-butylpiperidine?
4-tert-butyloxane;4-tert-butylpiperidine has a molecular weight of 283.50 g/mol, XLogP of 4.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyloxane;4-tert-butylpiperidine is sourced from PubChem (CID 161230933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).