tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate

C18H25BrN2O2 — CID 22029161

IUPACtert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCc3cc(Br)ccc32)CC1
InChIInChI=1S/C18H25BrN2O2/c1-18(2,3)23-17(22)20-9-7-15(8-10-20)21-11-6-13-12-14(19)4-5-16(13)21/h4-5,12,15H,6-11H2,1-3H3
InChIKeyMGCVDSKPCGERMO-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.21
Rot. Bonds1

About tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate (PubChem CID 22029161) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate
PubChem CID22029161
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC Nametert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2CCc3cc(Br)ccc32)CC1
InChIInChI=1S/C18H25BrN2O2/c1-18(2,3)23-17(22)20-9-7-15(8-10-20)21-11-6-13-12-14(19)4-5-16(13)21/h4-5,12,15H,6-11H2,1-3H3
InChIKeyMGCVDSKPCGERMO-UHFFFAOYSA-N
XLogP4.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate (CID 22029161) is tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2CCc3cc(Br)ccc32)CC1.
What is the InChIKey of tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate?
The InChIKey is MGCVDSKPCGERMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c1-18(2,3)23-17(22)20-9-7-15(8-10-20)21-11-6-13-12-14(19)4-5-16(13)21/h4-5,12,15H,6-11H2,1-3H3.
What are the key properties of tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate has a molecular weight of 381.31 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 22029161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).