6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane

C20H39N3 — CID 153486130

IUPAC6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane
SMILESCC1N(CC2CCN(C(C)(C)C)CC2)CC12CN(C(C)(C)C)C2
InChIInChI=1S/C20H39N3/c1-16-20(14-23(15-20)19(5,6)7)13-21(16)12-17-8-10-22(11-9-17)18(2,3)4/h16-17H,8-15H2,1-7H3
InChIKeySAOUBUPQFDOAPG-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.30
Rot. Bonds2

About 6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane

6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane (PubChem CID 153486130) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane
PubChem CID153486130
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane
SMILESCC1N(CC2CCN(C(C)(C)C)CC2)CC12CN(C(C)(C)C)C2
InChIInChI=1S/C20H39N3/c1-16-20(14-23(15-20)19(5,6)7)13-21(16)12-17-8-10-22(11-9-17)18(2,3)4/h16-17H,8-15H2,1-7H3
InChIKeySAOUBUPQFDOAPG-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 6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane (CID 153486130) is 6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane is CC1N(CC2CCN(C(C)(C)C)CC2)CC12CN(C(C)(C)C)C2.
What is the InChIKey of 6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is SAOUBUPQFDOAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-16-20(14-23(15-20)19(5,6)7)13-21(16)12-17-8-10-22(11-9-17)18(2,3)4/h16-17H,8-15H2,1-7H3.
What are the key properties of 6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane?
6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-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 6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 153486130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).