8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole

C16H20N4O — CID 79237010

IUPAC8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole
SMILESCOc1ccc2c(c1)-c1[nH]nc(N3CCNCC3)c1CC2
InChIInChI=1S/C16H20N4O/c1-21-12-4-2-11-3-5-13-15(14(11)10-12)18-19-16(13)20-8-6-17-7-9-20/h2,4,10,17H,3,5-9H2,1H3,(H,18,19)
InChIKeySBFRQTROVFSBFY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.59
Rot. Bonds2

About 8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole

8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole (PubChem CID 79237010) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole.

Molecular Properties

Compound Name8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole
PubChem CID79237010
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole
SMILESCOc1ccc2c(c1)-c1[nH]nc(N3CCNCC3)c1CC2
InChIInChI=1S/C16H20N4O/c1-21-12-4-2-11-3-5-13-15(14(11)10-12)18-19-16(13)20-8-6-17-7-9-20/h2,4,10,17H,3,5-9H2,1H3,(H,18,19)
InChIKeySBFRQTROVFSBFY-UHFFFAOYSA-N
XLogP1.59
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
The IUPAC name of 8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole (CID 79237010) is 8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole.
What is the SMILES notation for 8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
The canonical SMILES for 8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole is COc1ccc2c(c1)-c1[nH]nc(N3CCNCC3)c1CC2.
What is the InChIKey of 8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
The InChIKey is SBFRQTROVFSBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-21-12-4-2-11-3-5-13-15(14(11)10-12)18-19-16(13)20-8-6-17-7-9-20/h2,4,10,17H,3,5-9H2,1H3,(H,18,19).
What are the key properties of 8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole?
8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole has a molecular weight of 284.36 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-piperazin-1-yl-4,5-dihydro-1H-benzo[g]indazole is sourced from PubChem (CID 79237010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).