tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride

C18H27ClN2O2 — CID 18476130

IUPACtert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(N)c1ccccc12.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)12-15(19)13-6-4-5-7-14(13)18;/h4-7,15H,8-12,19H2,1-3H3;1H
InChIKeyFYYBDOIWWOLKGG-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.78
Rot. Bonds

About tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride

tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride (PubChem CID 18476130) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
PubChem CID18476130
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Nametert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(N)c1ccccc12.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)12-15(19)13-6-4-5-7-14(13)18;/h4-7,15H,8-12,19H2,1-3H3;1H
InChIKeyFYYBDOIWWOLKGG-UHFFFAOYSA-N
XLogP3.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride (CID 18476130) is tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC2(CC1)CC(N)c1ccccc12.Cl.
What is the InChIKey of tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride?
The InChIKey is FYYBDOIWWOLKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-17(2,3)22-16(21)20-10-8-18(9-11-20)12-15(19)13-6-4-5-7-14(13)18;/h4-7,15H,8-12,19H2,1-3H3;1H.
What are the key properties of tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride?
tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride is sourced from PubChem (CID 18476130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).