2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole

C17H24N2 — CID 166894897

IUPAC2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole
SMILESCC(C)n1c(C2CCCN(C)C2)cc2ccccc21
InChIInChI=1S/C17H24N2/c1-13(2)19-16-9-5-4-7-14(16)11-17(19)15-8-6-10-18(3)12-15/h4-5,7,9,11,13,15H,6,8,10,12H2,1-3H3
InChIKeyXFNWHFWPSVEEGU-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.03
Rot. Bonds2

About 2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole

2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole (PubChem CID 166894897) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole
PubChem CID166894897
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole
SMILESCC(C)n1c(C2CCCN(C)C2)cc2ccccc21
InChIInChI=1S/C17H24N2/c1-13(2)19-16-9-5-4-7-14(16)11-17(19)15-8-6-10-18(3)12-15/h4-5,7,9,11,13,15H,6,8,10,12H2,1-3H3
InChIKeyXFNWHFWPSVEEGU-UHFFFAOYSA-N
XLogP4.03
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole (CID 166894897) is 2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole is CC(C)n1c(C2CCCN(C)C2)cc2ccccc21.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole?
The InChIKey is XFNWHFWPSVEEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)19-16-9-5-4-7-14(16)11-17(19)15-8-6-10-18(3)12-15/h4-5,7,9,11,13,15H,6,8,10,12H2,1-3H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole?
2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole has a molecular weight of 256.39 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-1-propan-2-ylindole is sourced from PubChem (CID 166894897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).