tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate

C19H28N2O2 — CID 175973642

IUPACtert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCC2(CCc3c(N)cccc32)CC1
InChIInChI=1S/C19H28N2O2/c1-18(2,3)23-17(22)13-21-11-9-19(10-12-21)8-7-14-15(19)5-4-6-16(14)20/h4-6H,7-13,20H2,1-3H3
InChIKeyUOXCPJKPXLFMOD-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate

tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate (PubChem CID 175973642) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate
PubChem CID175973642
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate
SMILESCC(C)(C)OC(=O)CN1CCC2(CCc3c(N)cccc32)CC1
InChIInChI=1S/C19H28N2O2/c1-18(2,3)23-17(22)13-21-11-9-19(10-12-21)8-7-14-15(19)5-4-6-16(14)20/h4-6H,7-13,20H2,1-3H3
InChIKeyUOXCPJKPXLFMOD-UHFFFAOYSA-N
XLogP2.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.89
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

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CID 118103309
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tert-butyl 2-[4-(2-aminoethyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
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tert-butyl 2-[4-(2-aminoethyl)piperazin-1-yl]acetate
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tert-butyl 2-[4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]acetate
CID 161322481
6-[[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
CID 166721505
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate?
The IUPAC name of tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate (CID 175973642) is tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate.
What is the SMILES notation for tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate?
The canonical SMILES for tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate is CC(C)(C)OC(=O)CN1CCC2(CCc3c(N)cccc32)CC1.
What is the InChIKey of tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate?
The InChIKey is UOXCPJKPXLFMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2,3)23-17(22)13-21-11-9-19(10-12-21)8-7-14-15(19)5-4-6-16(14)20/h4-6H,7-13,20H2,1-3H3.
What are the key properties of tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate?
tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate has a molecular weight of 316.45 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(7-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)acetate is sourced from PubChem (CID 175973642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).