[4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone

C17H22N2O2 — CID 59529932

IUPAC[4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(CCO)CC3)cc2c1
InChIInChI=1S/C17H22N2O2/c1-12-2-3-15-14(10-12)11-16(18-15)17(21)19-7-4-13(5-8-19)6-9-20/h2-3,10-11,13,18,20H,4-9H2,1H3
InChIKeyHBSLSZOJAXYBQI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.71
Rot. Bonds3

About [4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone

[4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone (PubChem CID 59529932) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
PubChem CID59529932
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCC(CCO)CC3)cc2c1
InChIInChI=1S/C17H22N2O2/c1-12-2-3-15-14(10-12)11-16(18-15)17(21)19-7-4-13(5-8-19)6-9-20/h2-3,10-11,13,18,20H,4-9H2,1H3
InChIKeyHBSLSZOJAXYBQI-UHFFFAOYSA-N
XLogP2.71
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone (CID 59529932) is [4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CCC(CCO)CC3)cc2c1.
What is the InChIKey of [4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The InChIKey is HBSLSZOJAXYBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-2-3-15-14(10-12)11-16(18-15)17(21)19-7-4-13(5-8-19)6-9-20/h2-3,10-11,13,18,20H,4-9H2,1H3.
What are the key properties of [4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
[4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)piperidin-1-yl]-(5-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 59529932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).