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

C17H26ClN — CID 54580841

IUPAC1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCCCCN1CCC2(CCc3ccccc32)CC1.Cl
InChIInChI=1S/C17H25N.ClH/c1-2-3-12-18-13-10-17(11-14-18)9-8-15-6-4-5-7-16(15)17;/h4-7H,2-3,8-14H2,1H3;1H
InChIKeyKTEGXUKOPJSQCN-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.19
Rot. Bonds3

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

1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (PubChem CID 54580841) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
PubChem CID54580841
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCCCCN1CCC2(CCc3ccccc32)CC1.Cl
InChIInChI=1S/C17H25N.ClH/c1-2-3-12-18-13-10-17(11-14-18)9-8-15-6-4-5-7-16(15)17;/h4-7H,2-3,8-14H2,1H3;1H
InChIKeyKTEGXUKOPJSQCN-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The IUPAC name of 1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (CID 54580841) is 1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is CCCCN1CCC2(CCc3ccccc32)CC1.Cl.
What is the InChIKey of 1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The InChIKey is KTEGXUKOPJSQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N.ClH/c1-2-3-12-18-13-10-17(11-14-18)9-8-15-6-4-5-7-16(15)17;/h4-7H,2-3,8-14H2,1H3;1H.
What are the key properties of 1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride has a molecular weight of 279.86 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is sourced from PubChem (CID 54580841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).