[4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone

C17H22N2O2 — CID 59529919

IUPAC[4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCC(O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H22N2O2/c1-12(20)10-13-6-8-19(9-7-13)17(21)16-11-14-4-2-3-5-15(14)18-16/h2-5,11-13,18,20H,6-10H2,1H3
InChIKeyRQIRUEDHDVTKPM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.79
Rot. Bonds3

About [4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone

[4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 59529919) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID59529919
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCC(O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C17H22N2O2/c1-12(20)10-13-6-8-19(9-7-13)17(21)16-11-14-4-2-3-5-15(14)18-16/h2-5,11-13,18,20H,6-10H2,1H3
InChIKeyRQIRUEDHDVTKPM-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone (CID 59529919) is [4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone is CC(O)CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is RQIRUEDHDVTKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(20)10-13-6-8-19(9-7-13)17(21)16-11-14-4-2-3-5-15(14)18-16/h2-5,11-13,18,20H,6-10H2,1H3.
What are the key properties of [4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone?
[4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperidin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 59529919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).