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

C19H30ClN — CID 19018943

IUPAC1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCCCCCCN1CCC2(CCc3ccccc32)CC1.Cl
InChIInChI=1S/C19H29N.ClH/c1-2-3-4-7-14-20-15-12-19(13-16-20)11-10-17-8-5-6-9-18(17)19;/h5-6,8-9H,2-4,7,10-16H2,1H3;1H
InChIKeyXVPXBUKHTAEPCV-UHFFFAOYSA-N
MW307.91 g/mol
LogP4.97
Rot. Bonds5

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

1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (PubChem CID 19018943) has the molecular formula C19H30ClN and a molecular weight of 307.91 g/mol. Its IUPAC name is 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
PubChem CID19018943
Molecular FormulaC19H30ClN
Molecular Weight307.91 g/mol
Exact Mass307.21
IUPAC Name1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
SMILESCCCCCCN1CCC2(CCc3ccccc32)CC1.Cl
InChIInChI=1S/C19H29N.ClH/c1-2-3-4-7-14-20-15-12-19(13-16-20)11-10-17-8-5-6-9-18(17)19;/h5-6,8-9H,2-4,7,10-16H2,1H3;1H
InChIKeyXVPXBUKHTAEPCV-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.91
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The IUPAC name of 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride (CID 19018943) is 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride.
What is the SMILES notation for 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The canonical SMILES for 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is CCCCCCN1CCC2(CCc3ccccc32)CC1.Cl.
What is the InChIKey of 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
The InChIKey is XVPXBUKHTAEPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N.ClH/c1-2-3-4-7-14-20-15-12-19(13-16-20)11-10-17-8-5-6-9-18(17)19;/h5-6,8-9H,2-4,7,10-16H2,1H3;1H.
What are the key properties of 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride?
1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride has a molecular weight of 307.91 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride is sourced from PubChem (CID 19018943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).