2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine

C23H28N2 — CID 11759379

IUPAC2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine
SMILESCC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C23H28N2/c1-18(22-11-5-6-13-24-22)23-20(12-16-25-14-7-2-8-15-25)17-19-9-3-4-10-21(19)23/h3-6,9-11,13,18H,2,7-8,12,14-17H2,1H3
InChIKeyHCFXLIDWFGBUOO-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.07
Rot. Bonds5

About 2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine

2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine (PubChem CID 11759379) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine
PubChem CID11759379
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine
SMILESCC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C23H28N2/c1-18(22-11-5-6-13-24-22)23-20(12-16-25-14-7-2-8-15-25)17-19-9-3-4-10-21(19)23/h3-6,9-11,13,18H,2,7-8,12,14-17H2,1H3
InChIKeyHCFXLIDWFGBUOO-UHFFFAOYSA-N
XLogP5.07
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine?
The IUPAC name of 2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine (CID 11759379) is 2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine is CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1.
What is the InChIKey of 2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine?
The InChIKey is HCFXLIDWFGBUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-18(22-11-5-6-13-24-22)23-20(12-16-25-14-7-2-8-15-25)17-19-9-3-4-10-21(19)23/h3-6,9-11,13,18H,2,7-8,12,14-17H2,1H3.
What are the key properties of 2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine?
2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine has a molecular weight of 332.49 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-piperidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine is sourced from PubChem (CID 11759379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).