1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol

C16H22N2O — CID 5149882

IUPAC1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol
SMILESCC1CCCCN1CC(O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2O/c1-12-6-4-5-9-18(12)11-16(19)14-10-17-15-8-3-2-7-13(14)15/h2-3,7-8,10,12,16-17,19H,4-6,9,11H2,1H3
InChIKeyMJCBKKPOEAMEOT-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.08
Rot. Bonds3

About 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol

1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol (PubChem CID 5149882) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol
PubChem CID5149882
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol
SMILESCC1CCCCN1CC(O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2O/c1-12-6-4-5-9-18(12)11-16(19)14-10-17-15-8-3-2-7-13(14)15/h2-3,7-8,10,12,16-17,19H,4-6,9,11H2,1H3
InChIKeyMJCBKKPOEAMEOT-UHFFFAOYSA-N
XLogP3.08
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol (CID 5149882) is 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol is CC1CCCCN1CC(O)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol?
The InChIKey is MJCBKKPOEAMEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-6-4-5-9-18(12)11-16(19)14-10-17-15-8-3-2-7-13(14)15/h2-3,7-8,10,12,16-17,19H,4-6,9,11H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol?
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol has a molecular weight of 258.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanol is sourced from PubChem (CID 5149882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).