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

C19H29N — CID 15163161

IUPAC1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCCCCCCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C19H29N/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
InChIKeyAJHIAKMQFRDJIB-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.55
Rot. Bonds5

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

1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 15163161) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID15163161
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCCCCCCN1CCC2(CCc3ccccc32)CC1
InChIInChI=1S/C19H29N/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
InChIKeyAJHIAKMQFRDJIB-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.55
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]?
The IUPAC name of 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine] (CID 15163161) is 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine] is CCCCCCN1CCC2(CCc3ccccc32)CC1.
What is the InChIKey of 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is AJHIAKMQFRDJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/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.
What are the key properties of 1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine]?
1'-hexylspiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 271.45 g/mol, XLogP of 4.55, 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] is sourced from PubChem (CID 15163161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).