1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole

C21H22N4 — CID 137466163

IUPAC1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole
SMILESc1ccc(CN2CCCC(n3[nH]cc4ccc5nccc5c43)C2)cc1
InChIInChI=1S/C21H22N4/c1-2-5-16(6-3-1)14-24-12-4-7-18(15-24)25-21-17(13-23-25)8-9-20-19(21)10-11-22-20/h1-3,5-6,8-11,13,18,23H,4,7,12,14-15H2
InChIKeyLSEFYBIKLLXEGS-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.35
Rot. Bonds3

About 1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole

1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole (PubChem CID 137466163) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole.

Molecular Properties

Compound Name1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole
PubChem CID137466163
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole
SMILESc1ccc(CN2CCCC(n3[nH]cc4ccc5nccc5c43)C2)cc1
InChIInChI=1S/C21H22N4/c1-2-5-16(6-3-1)14-24-12-4-7-18(15-24)25-21-17(13-23-25)8-9-20-19(21)10-11-22-20/h1-3,5-6,8-11,13,18,23H,4,7,12,14-15H2
InChIKeyLSEFYBIKLLXEGS-UHFFFAOYSA-N
XLogP4.35
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole?
The IUPAC name of 1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole (CID 137466163) is 1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole.
What is the SMILES notation for 1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole?
The canonical SMILES for 1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole is c1ccc(CN2CCCC(n3[nH]cc4ccc5nccc5c43)C2)cc1.
What is the InChIKey of 1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole?
The InChIKey is LSEFYBIKLLXEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-5-16(6-3-1)14-24-12-4-7-18(15-24)25-21-17(13-23-25)8-9-20-19(21)10-11-22-20/h1-3,5-6,8-11,13,18,23H,4,7,12,14-15H2.
What are the key properties of 1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole?
1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole has a molecular weight of 330.44 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-3-yl)-2H-pyrrolo[2,3-g]indazole is sourced from PubChem (CID 137466163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).