2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol

C16H24N2O — CID 79741988

IUPAC2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol
SMILESNc1ccc2c(c1)CCC2N1CCCCC1CCO
InChIInChI=1S/C16H24N2O/c17-13-5-6-15-12(11-13)4-7-16(15)18-9-2-1-3-14(18)8-10-19/h5-6,11,14,16,19H,1-4,7-10,17H2
InChIKeyCPQTVHZCNFKHCH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.49
Rot. Bonds3

About 2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol

2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol (PubChem CID 79741988) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol
PubChem CID79741988
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol
SMILESNc1ccc2c(c1)CCC2N1CCCCC1CCO
InChIInChI=1S/C16H24N2O/c17-13-5-6-15-12(11-13)4-7-16(15)18-9-2-1-3-14(18)8-10-19/h5-6,11,14,16,19H,1-4,7-10,17H2
InChIKeyCPQTVHZCNFKHCH-UHFFFAOYSA-N
XLogP2.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol (CID 79741988) is 2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol is Nc1ccc2c(c1)CCC2N1CCCCC1CCO.
What is the InChIKey of 2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol?
The InChIKey is CPQTVHZCNFKHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-13-5-6-15-12(11-13)4-7-16(15)18-9-2-1-3-14(18)8-10-19/h5-6,11,14,16,19H,1-4,7-10,17H2.
What are the key properties of 2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol?
2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol has a molecular weight of 260.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-amino-2,3-dihydro-1H-inden-1-yl)piperidin-2-yl]ethanol is sourced from PubChem (CID 79741988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).