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

C20H38N2 — CID 126657816

IUPAC2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
SMILESCN1CCC(C(C)(C)CC2CC3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C20H38N2/c1-18(2,3)22-14-20(15-22)12-16(13-20)11-19(4,5)17-7-9-21(6)10-8-17/h16-17H,7-15H2,1-6H3
InChIKeyRJDRFXIWOCOYRJ-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.26
Rot. Bonds3

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

2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane (PubChem CID 126657816) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
PubChem CID126657816
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane
SMILESCN1CCC(C(C)(C)CC2CC3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C20H38N2/c1-18(2,3)22-14-20(15-22)12-16(13-20)11-19(4,5)17-7-9-21(6)10-8-17/h16-17H,7-15H2,1-6H3
InChIKeyRJDRFXIWOCOYRJ-UHFFFAOYSA-N
XLogP4.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.26
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-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane (CID 126657816) is 2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane is CN1CCC(C(C)(C)CC2CC3(C2)CN(C(C)(C)C)C3)CC1.
What is the InChIKey of 2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
The InChIKey is RJDRFXIWOCOYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-18(2,3)22-14-20(15-22)12-16(13-20)11-19(4,5)17-7-9-21(6)10-8-17/h16-17H,7-15H2,1-6H3.
What are the key properties of 2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane?
2-tert-butyl-6-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane has a molecular weight of 306.54 g/mol, XLogP of 4.26, 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-methyl-2-(1-methylpiperidin-4-yl)propyl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 126657816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).