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

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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).