2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane

C19H36N2 — CID 129146216

IUPAC2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
SMILESCC(CC1CC2(C1)CN(C(C)(C)C)C2)C1CCN(C)CC1
InChIInChI=1S/C19H36N2/c1-15(17-6-8-20(5)9-7-17)10-16-11-19(12-16)13-21(14-19)18(2,3)4/h15-17H,6-14H2,1-5H3
InChIKeyRPBGICWGGWBYCO-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.86
Rot. Bonds3

About 2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane

2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane (PubChem CID 129146216) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
PubChem CID129146216
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
SMILESCC(CC1CC2(C1)CN(C(C)(C)C)C2)C1CCN(C)CC1
InChIInChI=1S/C19H36N2/c1-15(17-6-8-20(5)9-7-17)10-16-11-19(12-16)13-21(14-19)18(2,3)4/h15-17H,6-14H2,1-5H3
InChIKeyRPBGICWGGWBYCO-UHFFFAOYSA-N
XLogP3.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane (CID 129146216) is 2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane is CC(CC1CC2(C1)CN(C(C)(C)C)C2)C1CCN(C)CC1.
What is the InChIKey of 2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
The InChIKey is RPBGICWGGWBYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-15(17-6-8-20(5)9-7-17)10-16-11-19(12-16)13-21(14-19)18(2,3)4/h15-17H,6-14H2,1-5H3.
What are the key properties of 2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane has a molecular weight of 292.51 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 129146216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).