4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine

C22H26N2O — CID 10969696

IUPAC4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine
SMILESCC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C22H26N2O/c1-17(21-8-4-5-10-23-21)22-19(9-11-24-12-14-25-15-13-24)16-18-6-2-3-7-20(18)22/h2-8,10,17H,9,11-16H2,1H3
InChIKeyYMVKVHVILBKUBG-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.92
Rot. Bonds5

About 4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine

4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine (PubChem CID 10969696) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine
PubChem CID10969696
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine
SMILESCC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1
InChIInChI=1S/C22H26N2O/c1-17(21-8-4-5-10-23-21)22-19(9-11-24-12-14-25-15-13-24)16-18-6-2-3-7-20(18)22/h2-8,10,17H,9,11-16H2,1H3
InChIKeyYMVKVHVILBKUBG-UHFFFAOYSA-N
XLogP3.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine (CID 10969696) is 4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine is CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1.
What is the InChIKey of 4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine?
The InChIKey is YMVKVHVILBKUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-17(21-8-4-5-10-23-21)22-19(9-11-24-12-14-25-15-13-24)16-18-6-2-3-7-20(18)22/h2-8,10,17H,9,11-16H2,1H3.
What are the key properties of 4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine?
4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine has a molecular weight of 334.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethyl]morpholine is sourced from PubChem (CID 10969696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).