1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide

C17H28BrNO — CID 90677944

IUPAC1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide
SMILESBr.OC1CC2=C(CC=CC2)C1CCCN1CCCCC1
InChIInChI=1S/C17H27NO.BrH/c19-17-13-14-7-2-3-8-15(14)16(17)9-6-12-18-10-4-1-5-11-18;/h2-3,16-17,19H,1,4-13H2;1H
InChIKeyWGUYSKSJKXEWLZ-UHFFFAOYSA-N
MW342.32 g/mol
LogP3.86
Rot. Bonds4

About 1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide

1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide (PubChem CID 90677944) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide.

Molecular Properties

Compound Name1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide
PubChem CID90677944
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide
SMILESBr.OC1CC2=C(CC=CC2)C1CCCN1CCCCC1
InChIInChI=1S/C17H27NO.BrH/c19-17-13-14-7-2-3-8-15(14)16(17)9-6-12-18-10-4-1-5-11-18;/h2-3,16-17,19H,1,4-13H2;1H
InChIKeyWGUYSKSJKXEWLZ-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide?
The IUPAC name of 1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide (CID 90677944) is 1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide.
What is the SMILES notation for 1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide?
The canonical SMILES for 1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide is Br.OC1CC2=C(CC=CC2)C1CCCN1CCCCC1.
What is the InChIKey of 1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide?
The InChIKey is WGUYSKSJKXEWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO.BrH/c19-17-13-14-7-2-3-8-15(14)16(17)9-6-12-18-10-4-1-5-11-18;/h2-3,16-17,19H,1,4-13H2;1H.
What are the key properties of 1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide?
1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide has a molecular weight of 342.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylpropyl)-2,3,4,7-tetrahydro-1H-inden-2-ol;hydrobromide is sourced from PubChem (CID 90677944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).