ethane;3-piperidin-4-yl-1H-isoindole

C15H22N2 — CID 91063171

IUPACethane;3-piperidin-4-yl-1H-isoindole
SMILESCC.c1ccc2c(c1)CN=C2C1CCNCC1
InChIInChI=1S/C13H16N2.C2H6/c1-2-4-12-11(3-1)9-15-13(12)10-5-7-14-8-6-10;1-2/h1-4,10,14H,5-9H2;1-2H3
InChIKeyVOMBICJABUKXAR-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.02
Rot. Bonds1

About ethane;3-piperidin-4-yl-1H-isoindole

ethane;3-piperidin-4-yl-1H-isoindole (PubChem CID 91063171) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is ethane;3-piperidin-4-yl-1H-isoindole.

Molecular Properties

Compound Nameethane;3-piperidin-4-yl-1H-isoindole
PubChem CID91063171
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Nameethane;3-piperidin-4-yl-1H-isoindole
SMILESCC.c1ccc2c(c1)CN=C2C1CCNCC1
InChIInChI=1S/C13H16N2.C2H6/c1-2-4-12-11(3-1)9-15-13(12)10-5-7-14-8-6-10;1-2/h1-4,10,14H,5-9H2;1-2H3
InChIKeyVOMBICJABUKXAR-UHFFFAOYSA-N
XLogP3.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-piperidin-4-yl-1H-isoindole?
The IUPAC name of ethane;3-piperidin-4-yl-1H-isoindole (CID 91063171) is ethane;3-piperidin-4-yl-1H-isoindole.
What is the SMILES notation for ethane;3-piperidin-4-yl-1H-isoindole?
The canonical SMILES for ethane;3-piperidin-4-yl-1H-isoindole is CC.c1ccc2c(c1)CN=C2C1CCNCC1.
What is the InChIKey of ethane;3-piperidin-4-yl-1H-isoindole?
The InChIKey is VOMBICJABUKXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C2H6/c1-2-4-12-11(3-1)9-15-13(12)10-5-7-14-8-6-10;1-2/h1-4,10,14H,5-9H2;1-2H3.
What are the key properties of ethane;3-piperidin-4-yl-1H-isoindole?
ethane;3-piperidin-4-yl-1H-isoindole has a molecular weight of 230.36 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-piperidin-4-yl-1H-isoindole is sourced from PubChem (CID 91063171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).