tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate

C19H27N3O2 — CID 143452162

IUPACtert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cn2ccc3ccc(N)cc32)CC1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)24-18(23)21-9-6-14(7-10-21)13-22-11-8-15-4-5-16(20)12-17(15)22/h4-5,8,11-12,14H,6-7,9-10,13,20H2,1-3H3
InChIKeyJHJYUDYNIYAVGB-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.87
Rot. Bonds2

About tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate

tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate (PubChem CID 143452162) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate
PubChem CID143452162
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Nametert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cn2ccc3ccc(N)cc32)CC1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)24-18(23)21-9-6-14(7-10-21)13-22-11-8-15-4-5-16(20)12-17(15)22/h4-5,8,11-12,14H,6-7,9-10,13,20H2,1-3H3
InChIKeyJHJYUDYNIYAVGB-UHFFFAOYSA-N
XLogP3.87
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[(5-aminoindol-1-yl)methyl]piperidine-1-carboxylate
CID 68669120
tert-butyl 4-[(5-nitroindol-1-yl)methyl]piperidine-1-carboxylate
CID 68669952
tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
CID 165142044
tert-butyl 4-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 171474596
tert-butyl 4-[[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 162754299
tert-butyl (3S)-3-[2-(4-aminophenyl)ethyl]pyrrolidine-1-carboxylate
CID 67239593
tert-butyl 4-[[1-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
CID 142711215
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
CID 177057091
tert-butyl 4-[[(5-amino-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 53255819
tert-butyl 3-[(3-aminophenyl)methyl]pyrrolidine-1-carboxylate
CID 45074451
tert-butyl 4-[[(7-amino-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]methyl]piperidine-1-carboxylate;ethane
CID 142248599

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate (CID 143452162) is tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cn2ccc3ccc(N)cc32)CC1.
What is the InChIKey of tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate?
The InChIKey is JHJYUDYNIYAVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,3)24-18(23)21-9-6-14(7-10-21)13-22-11-8-15-4-5-16(20)12-17(15)22/h4-5,8,11-12,14H,6-7,9-10,13,20H2,1-3H3.
What are the key properties of tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate has a molecular weight of 329.44 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-aminoindol-1-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 143452162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).