2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole

C17H26N2 — CID 91361054

IUPAC2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole
SMILESCC1(C)CC(N2Cc3ccccc3C2)CC(C)(C)N1
InChIInChI=1S/C17H26N2/c1-16(2)9-15(10-17(3,4)18-16)19-11-13-7-5-6-8-14(13)12-19/h5-8,15,18H,9-12H2,1-4H3
InChIKeyIAPWZTXQWMQOOX-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.31
Rot. Bonds1

About 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole

2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole (PubChem CID 91361054) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole
PubChem CID91361054
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole
SMILESCC1(C)CC(N2Cc3ccccc3C2)CC(C)(C)N1
InChIInChI=1S/C17H26N2/c1-16(2)9-15(10-17(3,4)18-16)19-11-13-7-5-6-8-14(13)12-19/h5-8,15,18H,9-12H2,1-4H3
InChIKeyIAPWZTXQWMQOOX-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-benzyl-1-methylpiperidin-4-amine
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CID 162653369

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole?
The IUPAC name of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole (CID 91361054) is 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole is CC1(C)CC(N2Cc3ccccc3C2)CC(C)(C)N1.
What is the InChIKey of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole?
The InChIKey is IAPWZTXQWMQOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-16(2)9-15(10-17(3,4)18-16)19-11-13-7-5-6-8-14(13)12-19/h5-8,15,18H,9-12H2,1-4H3.
What are the key properties of 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole?
2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole has a molecular weight of 258.41 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 91361054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).