2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole

C16H22N2 — CID 12674083

IUPAC2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole
SMILESCc1[nH]c2ccccc2c1CCC1CCNCC1
InChIInChI=1S/C16H22N2/c1-12-14(7-6-13-8-10-17-11-9-13)15-4-2-3-5-16(15)18-12/h2-5,13,17-18H,6-11H2,1H3
InChIKeySWVNWPJFTQRUEU-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.41
Rot. Bonds3

About 2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole

2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole (PubChem CID 12674083) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole.

Molecular Properties

Compound Name2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole
PubChem CID12674083
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole
SMILESCc1[nH]c2ccccc2c1CCC1CCNCC1
InChIInChI=1S/C16H22N2/c1-12-14(7-6-13-8-10-17-11-9-13)15-4-2-3-5-16(15)18-12/h2-5,13,17-18H,6-11H2,1H3
InChIKeySWVNWPJFTQRUEU-UHFFFAOYSA-N
XLogP3.41
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole?
The IUPAC name of 2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole (CID 12674083) is 2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole.
What is the SMILES notation for 2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole?
The canonical SMILES for 2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole is Cc1[nH]c2ccccc2c1CCC1CCNCC1.
What is the InChIKey of 2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole?
The InChIKey is SWVNWPJFTQRUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-14(7-6-13-8-10-17-11-9-13)15-4-2-3-5-16(15)18-12/h2-5,13,17-18H,6-11H2,1H3.
What are the key properties of 2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole?
2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole has a molecular weight of 242.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-piperidin-4-ylethyl)-1H-indole is sourced from PubChem (CID 12674083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).