ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole

C19H32N2 — CID 123203365

IUPACethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole
SMILESCC.CC.CCN1CCC(C2=NCc3ccccc32)CC1
InChIInChI=1S/C15H20N2.2C2H6/c1-2-17-9-7-12(8-10-17)15-14-6-4-3-5-13(14)11-16-15;2*1-2/h3-6,12H,2,7-11H2,1H3;2*1-2H3
InChIKeyXEOPCGIOBMLUPO-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.77
Rot. Bonds2

About ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole

ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole (PubChem CID 123203365) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole.

Molecular Properties

Compound Nameethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole
PubChem CID123203365
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Nameethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole
SMILESCC.CC.CCN1CCC(C2=NCc3ccccc32)CC1
InChIInChI=1S/C15H20N2.2C2H6/c1-2-17-9-7-12(8-10-17)15-14-6-4-3-5-13(14)11-16-15;2*1-2/h3-6,12H,2,7-11H2,1H3;2*1-2H3
InChIKeyXEOPCGIOBMLUPO-UHFFFAOYSA-N
XLogP4.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole?
The IUPAC name of ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole (CID 123203365) is ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole.
What is the SMILES notation for ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole?
The canonical SMILES for ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole is CC.CC.CCN1CCC(C2=NCc3ccccc32)CC1.
What is the InChIKey of ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole?
The InChIKey is XEOPCGIOBMLUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.2C2H6/c1-2-17-9-7-12(8-10-17)15-14-6-4-3-5-13(14)11-16-15;2*1-2/h3-6,12H,2,7-11H2,1H3;2*1-2H3.
What are the key properties of ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole?
ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole has a molecular weight of 288.48 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole is sourced from PubChem (CID 123203365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).