1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole

C25H30N4 — CID 18706814

IUPAC1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
SMILESCCn1nc(N2CCN(CCc3ccccc3)CC2)c2c1-c1ccccc1CC2
InChIInChI=1S/C25H30N4/c1-2-29-24-22-11-7-6-10-21(22)12-13-23(24)25(26-29)28-18-16-27(17-19-28)15-14-20-8-4-3-5-9-20/h3-11H,2,12-19H2,1H3
InChIKeySPWBTRSFOXYJCI-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.03
Rot. Bonds5

About 1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole

1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole (PubChem CID 18706814) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
PubChem CID18706814
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
SMILESCCn1nc(N2CCN(CCc3ccccc3)CC2)c2c1-c1ccccc1CC2
InChIInChI=1S/C25H30N4/c1-2-29-24-22-11-7-6-10-21(22)12-13-23(24)25(26-29)28-18-16-27(17-19-28)15-14-20-8-4-3-5-9-20/h3-11H,2,12-19H2,1H3
InChIKeySPWBTRSFOXYJCI-UHFFFAOYSA-N
XLogP4.03
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole (CID 18706814) is 1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole is CCn1nc(N2CCN(CCc3ccccc3)CC2)c2c1-c1ccccc1CC2.
What is the InChIKey of 1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
The InChIKey is SPWBTRSFOXYJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-2-29-24-22-11-7-6-10-21(22)12-13-23(24)25(26-29)28-18-16-27(17-19-28)15-14-20-8-4-3-5-9-20/h3-11H,2,12-19H2,1H3.
What are the key properties of 1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole has a molecular weight of 386.54 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 18706814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).