1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride

C20H24ClN — CID 54585888

IUPAC1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCl.c1ccc(CN2CCC3(CCc4ccccc43)CC2)cc1
InChIInChI=1S/C20H23N.ClH/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20;/h1-9H,10-16H2;1H
InChIKeyQIIUPZZTCSTTJE-UHFFFAOYSA-N
MW313.87 g/mol
LogP4.59
Rot. Bonds2

About 1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride

1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (PubChem CID 54585888) has the molecular formula C20H24ClN and a molecular weight of 313.87 g/mol. Its IUPAC name is 1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
PubChem CID54585888
Molecular FormulaC20H24ClN
Molecular Weight313.87 g/mol
Exact Mass313.16
IUPAC Name1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCl.c1ccc(CN2CCC3(CCc4ccccc43)CC2)cc1
InChIInChI=1S/C20H23N.ClH/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20;/h1-9H,10-16H2;1H
InChIKeyQIIUPZZTCSTTJE-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The IUPAC name of 1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (CID 54585888) is 1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is Cl.c1ccc(CN2CCC3(CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The InChIKey is QIIUPZZTCSTTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N.ClH/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)20;/h1-9H,10-16H2;1H.
What are the key properties of 1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride has a molecular weight of 313.87 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is sourced from PubChem (CID 54585888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).