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

C18H20N4 — CID 76995991

IUPAC2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole
SMILESc1ccc2[nH]c(CN3CCN(c4ccncc4)CC3)cc2c1
InChIInChI=1S/C18H20N4/c1-2-4-18-15(3-1)13-16(20-18)14-21-9-11-22(12-10-21)17-5-7-19-8-6-17/h1-8,13,20H,9-12,14H2
InChIKeyHSOZDGHDLZXNDW-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.89
Rot. Bonds3

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

2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole (PubChem CID 76995991) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole
PubChem CID76995991
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole
SMILESc1ccc2[nH]c(CN3CCN(c4ccncc4)CC3)cc2c1
InChIInChI=1S/C18H20N4/c1-2-4-18-15(3-1)13-16(20-18)14-21-9-11-22(12-10-21)17-5-7-19-8-6-17/h1-8,13,20H,9-12,14H2
InChIKeyHSOZDGHDLZXNDW-UHFFFAOYSA-N
XLogP2.89
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole?
The IUPAC name of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole (CID 76995991) is 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole?
The canonical SMILES for 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole is c1ccc2[nH]c(CN3CCN(c4ccncc4)CC3)cc2c1.
What is the InChIKey of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole?
The InChIKey is HSOZDGHDLZXNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-4-18-15(3-1)13-16(20-18)14-21-9-11-22(12-10-21)17-5-7-19-8-6-17/h1-8,13,20H,9-12,14H2.
What are the key properties of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole?
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole has a molecular weight of 292.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 76995991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).