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

C19H29ClN2O2 — CID 131664474

IUPACtert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
SMILESCc1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2N.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-13-6-5-7-14-15(20)12-19(16(13)14)8-10-21(11-9-19)17(22)23-18(2,3)4;/h5-7,15H,8-12,20H2,1-4H3;1H
InChIKeyIZYFBOQNICIISB-UHFFFAOYSA-N
MW352.91 g/mol
LogP4.09
Rot. Bonds

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

tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride (PubChem CID 131664474) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
PubChem CID131664474
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Nametert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
SMILESCc1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2N.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-13-6-5-7-14-15(20)12-19(16(13)14)8-10-21(11-9-19)17(22)23-18(2,3)4;/h5-7,15H,8-12,20H2,1-4H3;1H
InChIKeyIZYFBOQNICIISB-UHFFFAOYSA-N
XLogP4.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (1R)-1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride
CID 70149448
tert-butyl (1R)-1-amino-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 96530623
1-O'-tert-butyl 5-O-methyl 1-aminospiro[1,2-dihydroindene-3,4'-piperidine]-1',5-dicarboxylate
CID 170899546
tert-butyl (1R)-1-amino-7-chlorospiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 96530626
tert-butyl 1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 18673576
tert-butyl 4-[2-[4-bromo-1'-[3-(2-methylphenyl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetyl]piperazine-1-carboxylate
CID 58295800
tert-butyl 1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 154577354
tert-butyl (1R)-1-(2-ethoxy-2-oxoethyl)-5-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 125248067
tert-butyl (1S)-1-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1'-carboxylate
CID 166776803
tert-butyl 5-chloro-1-(hydroxymethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
CID 143445770
tert-butyl (3S,4S)-3-amino-4-(2-methylphenyl)piperidine-1-carboxylate
CID 39872168
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
CID 59312198

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride (CID 131664474) is tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride is Cc1cccc2c1C1(CCN(C(=O)OC(C)(C)C)CC1)CC2N.Cl.
What is the InChIKey of tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride?
The InChIKey is IZYFBOQNICIISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-13-6-5-7-14-15(20)12-19(16(13)14)8-10-21(11-9-19)17(22)23-18(2,3)4;/h5-7,15H,8-12,20H2,1-4H3;1H.
What are the key properties of tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride?
tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-amino-4-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate;hydrochloride is sourced from PubChem (CID 131664474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).