3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole

C22H24N4 — CID 18706818

IUPAC3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole
SMILESc1ccc(CN2CCN(c3n[nH]c4c3CCc3ccccc3-4)CC2)cc1
InChIInChI=1S/C22H24N4/c1-2-6-17(7-3-1)16-25-12-14-26(15-13-25)22-20-11-10-18-8-4-5-9-19(18)21(20)23-24-22/h1-9H,10-16H2,(H,23,24)
InChIKeyHMHTXUFNQRCKQU-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.50
Rot. Bonds3

About 3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole

3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole (PubChem CID 18706818) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole
PubChem CID18706818
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole
SMILESc1ccc(CN2CCN(c3n[nH]c4c3CCc3ccccc3-4)CC2)cc1
InChIInChI=1S/C22H24N4/c1-2-6-17(7-3-1)16-25-12-14-26(15-13-25)22-20-11-10-18-8-4-5-9-19(18)21(20)23-24-22/h1-9H,10-16H2,(H,23,24)
InChIKeyHMHTXUFNQRCKQU-UHFFFAOYSA-N
XLogP3.50
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole (CID 18706818) is 3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole is c1ccc(CN2CCN(c3n[nH]c4c3CCc3ccccc3-4)CC2)cc1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is HMHTXUFNQRCKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-6-17(7-3-1)16-25-12-14-26(15-13-25)22-20-11-10-18-8-4-5-9-19(18)21(20)23-24-22/h1-9H,10-16H2,(H,23,24).
What are the key properties of 3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole?
3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 344.46 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 18706818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).