tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate

C19H26N2O2 — CID 177057091

IUPACtert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
SMILESCn1ccc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc21
InChIInChI=1S/C19H26N2O2/c1-19(2,3)23-18(22)21-11-8-14(9-12-21)16-6-5-15-7-10-20(4)17(15)13-16/h5-7,10,13-14H,8-9,11-12H2,1-4H3
InChIKeyVTQZCBSZDOUASA-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.29
Rot. Bonds1

About tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate

tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate (PubChem CID 177057091) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
PubChem CID177057091
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nametert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
SMILESCn1ccc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc21
InChIInChI=1S/C19H26N2O2/c1-19(2,3)23-18(22)21-11-8-14(9-12-21)16-6-5-15-7-10-20(4)17(15)13-16/h5-7,10,13-14H,8-9,11-12H2,1-4H3
InChIKeyVTQZCBSZDOUASA-UHFFFAOYSA-N
XLogP4.29
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-1-methylindole
CID 121280278
tert-butyl 4-(2-amino-1-cyclohexylindol-6-yl)piperidine-1-carboxylate
CID 139447760
tert-butyl 4-(4-isocyano-3-methylphenyl)piperidine-1-carboxylate
CID 58559209
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
tert-butyl 4-(4-chloro-3-fluorophenyl)piperidine-1-carboxylate
CID 69229226
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxylate
CID 90737093
tert-butyl 4-(4-formyl-3-methylphenyl)piperidine-1-carboxylate
CID 130199926
tert-butyl 4-(3,5-dichlorophenyl)piperidine-1-carboxylate
CID 27281787
tert-butyl 4-[4-amino-3-(methylamino)phenyl]piperidine-1-carboxylate
CID 156507897
methyl 1,3-dimethyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indole-2-carboxylate
CID 118378615

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate (CID 177057091) is tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate is Cn1ccc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc21.
What is the InChIKey of tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate?
The InChIKey is VTQZCBSZDOUASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2,3)23-18(22)21-11-8-14(9-12-21)16-6-5-15-7-10-20(4)17(15)13-16/h5-7,10,13-14H,8-9,11-12H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 177057091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).