2-(1-piperidin-1-ylprop-2-enyl)-1H-indole

C16H20N2 — CID 67660412

IUPAC2-(1-piperidin-1-ylprop-2-enyl)-1H-indole
SMILESC=CC(c1cc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C16H20N2/c1-2-16(18-10-6-3-7-11-18)15-12-13-8-4-5-9-14(13)17-15/h2,4-5,8-9,12,16-17H,1,3,6-7,10-11H2
InChIKeySUPPFTWIUVKPIG-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.88
Rot. Bonds3

About 2-(1-piperidin-1-ylprop-2-enyl)-1H-indole

2-(1-piperidin-1-ylprop-2-enyl)-1H-indole (PubChem CID 67660412) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(1-piperidin-1-ylprop-2-enyl)-1H-indole.

Molecular Properties

Compound Name2-(1-piperidin-1-ylprop-2-enyl)-1H-indole
PubChem CID67660412
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-(1-piperidin-1-ylprop-2-enyl)-1H-indole
SMILESC=CC(c1cc2ccccc2[nH]1)N1CCCCC1
InChIInChI=1S/C16H20N2/c1-2-16(18-10-6-3-7-11-18)15-12-13-8-4-5-9-14(13)17-15/h2,4-5,8-9,12,16-17H,1,3,6-7,10-11H2
InChIKeySUPPFTWIUVKPIG-UHFFFAOYSA-N
XLogP3.88
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-piperidin-1-ylprop-2-enyl)-1H-indole?
The IUPAC name of 2-(1-piperidin-1-ylprop-2-enyl)-1H-indole (CID 67660412) is 2-(1-piperidin-1-ylprop-2-enyl)-1H-indole.
What is the SMILES notation for 2-(1-piperidin-1-ylprop-2-enyl)-1H-indole?
The canonical SMILES for 2-(1-piperidin-1-ylprop-2-enyl)-1H-indole is C=CC(c1cc2ccccc2[nH]1)N1CCCCC1.
What is the InChIKey of 2-(1-piperidin-1-ylprop-2-enyl)-1H-indole?
The InChIKey is SUPPFTWIUVKPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-16(18-10-6-3-7-11-18)15-12-13-8-4-5-9-14(13)17-15/h2,4-5,8-9,12,16-17H,1,3,6-7,10-11H2.
What are the key properties of 2-(1-piperidin-1-ylprop-2-enyl)-1H-indole?
2-(1-piperidin-1-ylprop-2-enyl)-1H-indole has a molecular weight of 240.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperidin-1-ylprop-2-enyl)-1H-indole is sourced from PubChem (CID 67660412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).