2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole

C16H24N2 — CID 166963382

IUPAC2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole
SMILESCN1CCC(C2=NC3=C(C=CCC3)C2)CC1(C)C
InChIInChI=1S/C16H24N2/c1-16(2)11-13(8-9-18(16)3)15-10-12-6-4-5-7-14(12)17-15/h4,6,13H,5,7-11H2,1-3H3
InChIKeyURSPAJAFDALXKV-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.56
Rot. Bonds1

About 2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole

2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole (PubChem CID 166963382) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole.

Molecular Properties

Compound Name2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole
PubChem CID166963382
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole
SMILESCN1CCC(C2=NC3=C(C=CCC3)C2)CC1(C)C
InChIInChI=1S/C16H24N2/c1-16(2)11-13(8-9-18(16)3)15-10-12-6-4-5-7-14(12)17-15/h4,6,13H,5,7-11H2,1-3H3
InChIKeyURSPAJAFDALXKV-UHFFFAOYSA-N
XLogP3.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.56
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-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole?
The IUPAC name of 2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole (CID 166963382) is 2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole.
What is the SMILES notation for 2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole?
The canonical SMILES for 2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole is CN1CCC(C2=NC3=C(C=CCC3)C2)CC1(C)C.
What is the InChIKey of 2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole?
The InChIKey is URSPAJAFDALXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(2)11-13(8-9-18(16)3)15-10-12-6-4-5-7-14(12)17-15/h4,6,13H,5,7-11H2,1-3H3.
What are the key properties of 2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole?
2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole has a molecular weight of 244.38 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trimethylpiperidin-4-yl)-6,7-dihydro-3H-indole is sourced from PubChem (CID 166963382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).