2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole

C19H22N4 — CID 2813100

IUPAC2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole
SMILESCc1[nH]c2ccccc2c1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3
InChIKeyZAXKSLQZANTESC-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.19
Rot. Bonds3

About 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole

2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole (PubChem CID 2813100) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole
PubChem CID2813100
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole
SMILESCc1[nH]c2ccccc2c1CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3
InChIKeyZAXKSLQZANTESC-UHFFFAOYSA-N
XLogP3.19
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole?
The IUPAC name of 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole (CID 2813100) is 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole?
The canonical SMILES for 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole is Cc1[nH]c2ccccc2c1CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole?
The InChIKey is ZAXKSLQZANTESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-15-17(16-6-2-3-7-18(16)21-15)14-22-10-12-23(13-11-22)19-8-4-5-9-20-19/h2-9,21H,10-14H2,1H3.
What are the key properties of 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole?
2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole has a molecular weight of 306.41 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 2813100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).