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

C20H39N3 — CID 126654366

IUPAC2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
SMILESC[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C
InChIInChI=1S/C20H39N3/c1-16-10-17(8-9-21(16)11-18(2,3)4)22-12-20(13-22)14-23(15-20)19(5,6)7/h16-17H,8-15H2,1-7H3/t16-,17?/m1/s1
InChIKeyIAGHIQCGBDRILJ-TZHYSIJRSA-N
MW321.55 g/mol
LogP3.30
Rot. Bonds2

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

2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane (PubChem CID 126654366) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
PubChem CID126654366
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
SMILESC[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C
InChIInChI=1S/C20H39N3/c1-16-10-17(8-9-21(16)11-18(2,3)4)22-12-20(13-22)14-23(15-20)19(5,6)7/h16-17H,8-15H2,1-7H3/t16-,17?/m1/s1
InChIKeyIAGHIQCGBDRILJ-TZHYSIJRSA-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

Analyze 2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]piperazine
CID 134413729
2-tert-butyl-6-[(2R,6R)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 155773686
2-[6-[(3S)-4-(4-tert-butylpiperazin-1-yl)-3-methylpiperidin-1-yl]-2,5,5-trimethylhexan-2-yl]-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 134339699
2-tert-butyl-6-[(2R,5S)-1-(2,2-dimethylpropyl)-2,5-dimethylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(2S)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3S)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;2-tert-butyl-6-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane;1-tert-butyl-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazine;(4-tert-butylpiperazin-1-yl)-[1-(2,2-dimethylpropyl)piperidin-4-yl]methanone
CID 159887139
2-[(2S)-1-ethyl-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane
CID 142389432
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
2-tert-butyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonane
CID 171406778
2-(1-tert-butylpiperidin-4-yl)-7-methyl-2,7-diazaspiro[3.5]nonane
CID 168769171
2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane
CID 166567384
(1-tert-butylpiperidin-4-yl)-[(3S)-4-(2,2-dimethylpropyl)-3-methylpiperazin-1-yl]methanone
CID 171429799
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
6-[(2R,6R)-1-ethyl-2,6-dimethylpiperidin-4-yl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 166168989

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane (CID 126654366) is 2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane is C[C@@H]1CC(N2CC3(C2)CN(C(C)(C)C)C3)CCN1CC(C)(C)C.
What is the InChIKey of 2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is IAGHIQCGBDRILJ-TZHYSIJRSA-N. The full InChI is InChI=1S/C20H39N3/c1-16-10-17(8-9-21(16)11-18(2,3)4)22-12-20(13-22)14-23(15-20)19(5,6)7/h16-17H,8-15H2,1-7H3/t16-,17?/m1/s1.
What are the key properties of 2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane?
2-tert-butyl-6-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-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-[(2R)-1-(2,2-dimethylpropyl)-2-methylpiperidin-4-yl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 126654366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).