2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride

C16H21ClN2O — CID 24845979

IUPAC2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
SMILESCl.OC1C2CCN(CC2)C1Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O.ClH/c19-16-11-5-7-18(8-6-11)15(16)9-12-10-17-14-4-2-1-3-13(12)14;/h1-4,10-11,15-17,19H,5-9H2;1H
InChIKeyZNXWFFNBNCMZGA-UHFFFAOYSA-N
MW292.81 g/mol
LogP2.59
Rot. Bonds2

About 2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride

2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride (PubChem CID 24845979) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride.

Molecular Properties

Compound Name2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
PubChem CID24845979
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride
SMILESCl.OC1C2CCN(CC2)C1Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O.ClH/c19-16-11-5-7-18(8-6-11)15(16)9-12-10-17-14-4-2-1-3-13(12)14;/h1-4,10-11,15-17,19H,5-9H2;1H
InChIKeyZNXWFFNBNCMZGA-UHFFFAOYSA-N
XLogP2.59
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The IUPAC name of 2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride (CID 24845979) is 2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride.
What is the SMILES notation for 2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The canonical SMILES for 2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride is Cl.OC1C2CCN(CC2)C1Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
The InChIKey is ZNXWFFNBNCMZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.ClH/c19-16-11-5-7-18(8-6-11)15(16)9-12-10-17-14-4-2-1-3-13(12)14;/h1-4,10-11,15-17,19H,5-9H2;1H.
What are the key properties of 2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride?
2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-ol;hydrochloride is sourced from PubChem (CID 24845979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).