2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane

C21H41N3 — CID 155773686

IUPAC2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
SMILESC[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)C[C@@H](C)N1CC(C)(C)C
InChIInChI=1S/C21H41N3/c1-16-9-18(10-17(2)24(16)11-19(3,4)5)22-12-21(13-22)14-23(15-21)20(6,7)8/h16-18H,9-15H2,1-8H3/t16-,17-/m1/s1
InChIKeyZYNRCTUHQYCELS-IAGOWNOFSA-N
MW335.58 g/mol
LogP3.69
Rot. Bonds2

About 2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane

2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane (PubChem CID 155773686) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
PubChem CID155773686
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
SMILESC[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)C[C@@H](C)N1CC(C)(C)C
InChIInChI=1S/C21H41N3/c1-16-9-18(10-17(2)24(16)11-19(3,4)5)22-12-21(13-22)14-23(15-21)20(6,7)8/h16-18H,9-15H2,1-8H3/t16-,17-/m1/s1
InChIKeyZYNRCTUHQYCELS-IAGOWNOFSA-N
XLogP3.69
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.58
LogP ≤ 53.69
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-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane (CID 155773686) is 2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane is C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)C[C@@H](C)N1CC(C)(C)C.
What is the InChIKey of 2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is ZYNRCTUHQYCELS-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H41N3/c1-16-9-18(10-17(2)24(16)11-19(3,4)5)22-12-21(13-22)14-23(15-21)20(6,7)8/h16-18H,9-15H2,1-8H3/t16-,17-/m1/s1.
What are the key properties of 2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 335.58 g/mol, XLogP of 3.69, 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-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 155773686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).