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

C20H39N3 — CID 146547666

IUPAC2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC1(CN2CC3(C2)CN(C(C)(C)C)C3)CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H39N3/c1-17(2,3)22-10-8-19(7,9-11-22)12-21-13-20(14-21)15-23(16-20)18(4,5)6/h8-16H2,1-7H3
InChIKeySWQAARVYJRVJOZ-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.30
Rot. Bonds2

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

2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 146547666) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID146547666
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC1(CN2CC3(C2)CN(C(C)(C)C)C3)CCN(C(C)(C)C)CC1
InChIInChI=1S/C20H39N3/c1-17(2,3)22-10-8-19(7,9-11-22)12-21-13-20(14-21)15-23(16-20)18(4,5)6/h8-16H2,1-7H3
InChIKeySWQAARVYJRVJOZ-UHFFFAOYSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane (CID 146547666) is 2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is CC1(CN2CC3(C2)CN(C(C)(C)C)C3)CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is SWQAARVYJRVJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-17(2,3)22-10-8-19(7,9-11-22)12-21-13-20(14-21)15-23(16-20)18(4,5)6/h8-16H2,1-7H3.
What are the key properties of 2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane?
2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 321.55 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(1-tert-butyl-4-methylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 146547666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).