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

C19H22N4 — CID 70706708

IUPAC1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole
SMILESCn1c(CN2CCN(c3cccnc3)CC2)cc2ccccc21
InChIInChI=1S/C19H22N4/c1-21-18(13-16-5-2-3-7-19(16)21)15-22-9-11-23(12-10-22)17-6-4-8-20-14-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyAGQZNCRQIUXVHV-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.90
Rot. Bonds3

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

1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole (PubChem CID 70706708) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole.

Molecular Properties

Compound Name1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole
PubChem CID70706708
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole
SMILESCn1c(CN2CCN(c3cccnc3)CC2)cc2ccccc21
InChIInChI=1S/C19H22N4/c1-21-18(13-16-5-2-3-7-19(16)21)15-22-9-11-23(12-10-22)17-6-4-8-20-14-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyAGQZNCRQIUXVHV-UHFFFAOYSA-N
XLogP2.90
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole?
The IUPAC name of 1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole (CID 70706708) is 1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole.
What is the SMILES notation for 1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole?
The canonical SMILES for 1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole is Cn1c(CN2CCN(c3cccnc3)CC2)cc2ccccc21.
What is the InChIKey of 1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole?
The InChIKey is AGQZNCRQIUXVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-21-18(13-16-5-2-3-7-19(16)21)15-22-9-11-23(12-10-22)17-6-4-8-20-14-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole?
1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole has a molecular weight of 306.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]indole is sourced from PubChem (CID 70706708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).