3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole

C23H26N4 — CID 18706808

IUPAC3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole
SMILESc1ccc(CCN2CCN(c3n[nH]c4c3CCc3ccccc3-4)CC2)cc1
InChIInChI=1S/C23H26N4/c1-2-6-18(7-3-1)12-13-26-14-16-27(17-15-26)23-21-11-10-19-8-4-5-9-20(19)22(21)24-25-23/h1-9H,10-17H2,(H,24,25)
InChIKeyLIXQLNBKNVDYMZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.54
Rot. Bonds4

About 3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole

3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole (PubChem CID 18706808) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole
PubChem CID18706808
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole
SMILESc1ccc(CCN2CCN(c3n[nH]c4c3CCc3ccccc3-4)CC2)cc1
InChIInChI=1S/C23H26N4/c1-2-6-18(7-3-1)12-13-26-14-16-27(17-15-26)23-21-11-10-19-8-4-5-9-20(19)22(21)24-25-23/h1-9H,10-17H2,(H,24,25)
InChIKeyLIXQLNBKNVDYMZ-UHFFFAOYSA-N
XLogP3.54
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-{4-[2-(2-Chloro-phenyl)-ethyl]-piperazin-1-yl}-4,5-dihydro-1H-benzo[g]indazole
CID 10023466
1-Phenethyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperazine
CID 10735344
N-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-3H-benzo[e]indazol-1-amine
CID 155518775
2-Methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
CID 18706794
3-(4-Benzylpiperazin-1-yl)-1,4-dihydroindeno[2,1-d]pyrazole
CID 18706795
1-Methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
CID 18706801
3-[4-(2-Phenylethyl)piperazin-1-yl]-1,4-dihydroindeno[2,1-d]pyrazole
CID 18706815
3-(4-benzylpiperazin-1-yl)-4,5-dihydro-1H-benzo[g]indazole
CID 18706818
3-(4-Phenylpiperidin-1-ylmethyl)-4,5-dihydro-1H-benzo[g]indazole
CID 21476930
3-[(4-benzylpiperazin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole
CID 21476932
3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole
CID 21476933
3-(1,2,3,4-Tetrahydroisoquinolin-2-ylmethyl)-4,5-dihydro-1H-benzo[g]indazole
CID 21476934

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole (CID 18706808) is 3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole is c1ccc(CCN2CCN(c3n[nH]c4c3CCc3ccccc3-4)CC2)cc1.
What is the InChIKey of 3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is LIXQLNBKNVDYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-2-6-18(7-3-1)12-13-26-14-16-27(17-15-26)23-21-11-10-19-8-4-5-9-20(19)22(21)24-25-23/h1-9H,10-17H2,(H,24,25).
What are the key properties of 3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole?
3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 358.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 18706808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).