4-(4-benzylpiperazin-1-yl)-1H-indole

C19H21N3 — CID 2728532

IUPAC4-(4-benzylpiperazin-1-yl)-1H-indole
SMILESc1ccc(CN2CCN(c3cccc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C19H21N3/c1-2-5-16(6-3-1)15-21-11-13-22(14-12-21)19-8-4-7-18-17(19)9-10-20-18/h1-10,20H,11-15H2
InChIKeyJLZIBIQTDGMAFZ-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.49
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-1H-indole

4-(4-benzylpiperazin-1-yl)-1H-indole (PubChem CID 2728532) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-1H-indole.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-1H-indole
PubChem CID2728532
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name4-(4-benzylpiperazin-1-yl)-1H-indole
SMILESc1ccc(CN2CCN(c3cccc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C19H21N3/c1-2-5-16(6-3-1)15-21-11-13-22(14-12-21)19-8-4-7-18-17(19)9-10-20-18/h1-10,20H,11-15H2
InChIKeyJLZIBIQTDGMAFZ-UHFFFAOYSA-N
XLogP3.49
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-1H-indole?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-1H-indole (CID 2728532) is 4-(4-benzylpiperazin-1-yl)-1H-indole.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-1H-indole?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-1H-indole is c1ccc(CN2CCN(c3cccc4[nH]ccc34)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-1H-indole?
The InChIKey is JLZIBIQTDGMAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-2-5-16(6-3-1)15-21-11-13-22(14-12-21)19-8-4-7-18-17(19)9-10-20-18/h1-10,20H,11-15H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-1H-indole?
4-(4-benzylpiperazin-1-yl)-1H-indole has a molecular weight of 291.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-1H-indole is sourced from PubChem (CID 2728532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).