2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone

C22H24N2O2 — CID 56835060

IUPAC2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2cc(O)ccc12
InChIInChI=1S/C22H24N2O2/c25-18-6-7-19-20(14-23-21(19)13-18)22(26)15-24-10-8-17(9-11-24)12-16-4-2-1-3-5-16/h1-7,13-14,17,23,25H,8-12,15H2
InChIKeyKNATUFMEBGYQGU-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.01
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone

2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone (PubChem CID 56835060) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone
PubChem CID56835060
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone
SMILESO=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2cc(O)ccc12
InChIInChI=1S/C22H24N2O2/c25-18-6-7-19-20(14-23-21(19)13-18)22(26)15-24-10-8-17(9-11-24)12-16-4-2-1-3-5-16/h1-7,13-14,17,23,25H,8-12,15H2
InChIKeyKNATUFMEBGYQGU-UHFFFAOYSA-N
XLogP4.01
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone (CID 56835060) is 2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone is O=C(CN1CCC(Cc2ccccc2)CC1)c1c[nH]c2cc(O)ccc12.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone?
The InChIKey is KNATUFMEBGYQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-18-6-7-19-20(14-23-21(19)13-18)22(26)15-24-10-8-17(9-11-24)12-16-4-2-1-3-5-16/h1-7,13-14,17,23,25H,8-12,15H2.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone?
2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone has a molecular weight of 348.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-(6-hydroxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 56835060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).