tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate

C20H28N2O2 — CID 69268975

IUPACtert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate
SMILESCC1CC(n2ccc3ccccc32)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O2/c1-14-12-17(21-11-10-16-8-6-7-9-18(16)21)13-15(2)22(14)19(23)24-20(3,4)5/h6-11,14-15,17H,12-13H2,1-5H3
InChIKeyRMBXFWPWUQICEP-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.99
Rot. Bonds1

About tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate

tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate (PubChem CID 69268975) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate
PubChem CID69268975
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Nametert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate
SMILESCC1CC(n2ccc3ccccc32)CC(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O2/c1-14-12-17(21-11-10-16-8-6-7-9-18(16)21)13-15(2)22(14)19(23)24-20(3,4)5/h6-11,14-15,17H,12-13H2,1-5H3
InChIKeyRMBXFWPWUQICEP-UHFFFAOYSA-N
XLogP4.99
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate 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

(2S,4S)-4-indol-1-yl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 67506044
tert-butyl 3-(hydroxymethyl)-4-indol-1-ylpiperidine-1-carboxylate
CID 69269361
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
tert-butyl 2,4,6,8-tetramethyl-5-oxoazocane-1-carboxylate
CID 123266281
1-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-[3-[3,5-di(indol-1-yl)cyclohexyl]-5-indol-1-ylcyclohexyl]cyclohexyl]indole
CID 58652162
tert-butyl (2R,6R)-4-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxylate
CID 129384832
tert-butyl 2-methyl-5-azabicyclo[2.1.1]hexane-5-carboxylate
CID 166076980
tert-butyl (2S)-2-(indole-1-carbonyl)pyrrolidine-1-carboxylate
CID 177394660
tert-butyl 9,10-dimethyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carboxylate
CID 71188473
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
(2R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 130942964
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate (CID 69268975) is tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate is CC1CC(n2ccc3ccccc32)CC(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate?
The InChIKey is RMBXFWPWUQICEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14-12-17(21-11-10-16-8-6-7-9-18(16)21)13-15(2)22(14)19(23)24-20(3,4)5/h6-11,14-15,17H,12-13H2,1-5H3.
What are the key properties of tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate?
tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate has a molecular weight of 328.46 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-indol-1-yl-2,6-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 69268975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).