1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C18H27NO2 — CID 56894320

IUPAC1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCCCOCCN1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H27NO2/c1-2-12-21-13-11-19-9-7-18(8-10-19)16-6-4-3-5-15(16)14-17(18)20/h3-6,17,20H,2,7-14H2,1H3
InChIKeyPCNSFEFRTLBNJY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.36
Rot. Bonds5

About 1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56894320) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56894320
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCCCOCCN1CCC2(CC1)c1ccccc1CC2O
InChIInChI=1S/C18H27NO2/c1-2-12-21-13-11-19-9-7-18(8-10-19)16-6-4-3-5-15(16)14-17(18)20/h3-6,17,20H,2,7-14H2,1H3
InChIKeyPCNSFEFRTLBNJY-UHFFFAOYSA-N
XLogP2.36
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of 1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56894320) is 1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for 1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for 1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CCCOCCN1CCC2(CC1)c1ccccc1CC2O.
What is the InChIKey of 1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is PCNSFEFRTLBNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-12-21-13-11-19-9-7-18(8-10-19)16-6-4-3-5-15(16)14-17(18)20/h3-6,17,20H,2,7-14H2,1H3.
What are the key properties of 1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 289.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-propoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56894320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).