2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone

C15H20N2O2 — CID 76893495

IUPAC2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1Cc2ccccc2N1)N1CCCC(CO)C1
InChIInChI=1S/C15H20N2O2/c18-10-11-4-3-7-17(9-11)15(19)14-8-12-5-1-2-6-13(12)16-14/h1-2,5-6,11,14,16,18H,3-4,7-10H2
InChIKeyAIMMTZVZXCUXSR-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.25
Rot. Bonds2

About 2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone

2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 76893495) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID76893495
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1Cc2ccccc2N1)N1CCCC(CO)C1
InChIInChI=1S/C15H20N2O2/c18-10-11-4-3-7-17(9-11)15(19)14-8-12-5-1-2-6-13(12)16-14/h1-2,5-6,11,14,16,18H,3-4,7-10H2
InChIKeyAIMMTZVZXCUXSR-UHFFFAOYSA-N
XLogP1.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 76893495) is 2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone is O=C(C1Cc2ccccc2N1)N1CCCC(CO)C1.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is AIMMTZVZXCUXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-10-11-4-3-7-17(9-11)15(19)14-8-12-5-1-2-6-13(12)16-14/h1-2,5-6,11,14,16,18H,3-4,7-10H2.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone?
2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 260.34 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 76893495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).