1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride

C18H26ClN — CID 54580004

IUPAC1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCC(C)=CCN1CCC2(CCc3ccccc32)CC1.Cl
InChIInChI=1S/C18H25N.ClH/c1-15(2)8-12-19-13-10-18(11-14-19)9-7-16-5-3-4-6-17(16)18;/h3-6,8H,7,9-14H2,1-2H3;1H
InChIKeyXGIPMYYSSGXOIV-UHFFFAOYSA-N
MW291.87 g/mol
LogP4.35
Rot. Bonds2

About 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride

1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (PubChem CID 54580004) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
PubChem CID54580004
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC Name1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCC(C)=CCN1CCC2(CCc3ccccc32)CC1.Cl
InChIInChI=1S/C18H25N.ClH/c1-15(2)8-12-19-13-10-18(11-14-19)9-7-16-5-3-4-6-17(16)18;/h3-6,8H,7,9-14H2,1-2H3;1H
InChIKeyXGIPMYYSSGXOIV-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.87
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The IUPAC name of 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (CID 54580004) is 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is CC(C)=CCN1CCC2(CCc3ccccc32)CC1.Cl.
What is the InChIKey of 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The InChIKey is XGIPMYYSSGXOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N.ClH/c1-15(2)8-12-19-13-10-18(11-14-19)9-7-16-5-3-4-6-17(16)18;/h3-6,8H,7,9-14H2,1-2H3;1H.
What are the key properties of 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride has a molecular weight of 291.87 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-methylbut-2-enyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is sourced from PubChem (CID 54580004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).