7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

C17H32N2O2 — CID 62090199

IUPAC7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(C)(C)C1CCN(C2CC3(CCC2N)OCCO3)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)13-5-8-19(9-6-13)15-12-17(7-4-14(15)18)20-10-11-21-17/h13-15H,4-12,18H2,1-3H3
InChIKeyMWFHZOCLMCTKHD-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.37
Rot. Bonds1

About 7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine

7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 62090199) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID62090199
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCC(C)(C)C1CCN(C2CC3(CCC2N)OCCO3)CC1
InChIInChI=1S/C17H32N2O2/c1-16(2,3)13-5-8-19(9-6-13)15-12-17(7-4-14(15)18)20-10-11-21-17/h13-15H,4-12,18H2,1-3H3
InChIKeyMWFHZOCLMCTKHD-UHFFFAOYSA-N
XLogP2.37
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 62090199) is 7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is CC(C)(C)C1CCN(C2CC3(CCC2N)OCCO3)CC1.
What is the InChIKey of 7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is MWFHZOCLMCTKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2,3)13-5-8-19(9-6-13)15-12-17(7-4-14(15)18)20-10-11-21-17/h13-15H,4-12,18H2,1-3H3.
What are the key properties of 7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 296.45 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylpiperidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 62090199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).