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

C23H25N3 — CID 21476930

IUPAC3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole
SMILESc1ccc(C2CCN(Cc3[nH]nc4c3CCc3ccccc3-4)CC2)cc1
InChIInChI=1S/C23H25N3/c1-2-6-17(7-3-1)18-12-14-26(15-13-18)16-22-21-11-10-19-8-4-5-9-20(19)23(21)25-24-22/h1-9,18H,10-16H2,(H,24,25)
InChIKeyRYUMGNCTIDEIRU-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.55
Rot. Bonds3

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

3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole (PubChem CID 21476930) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole.

Molecular Properties

Compound Name3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole
PubChem CID21476930
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole
SMILESc1ccc(C2CCN(Cc3[nH]nc4c3CCc3ccccc3-4)CC2)cc1
InChIInChI=1S/C23H25N3/c1-2-6-17(7-3-1)18-12-14-26(15-13-18)16-22-21-11-10-19-8-4-5-9-20(19)23(21)25-24-22/h1-9,18H,10-16H2,(H,24,25)
InChIKeyRYUMGNCTIDEIRU-UHFFFAOYSA-N
XLogP4.55
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole?
The IUPAC name of 3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole (CID 21476930) is 3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole.
What is the SMILES notation for 3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole?
The canonical SMILES for 3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole is c1ccc(C2CCN(Cc3[nH]nc4c3CCc3ccccc3-4)CC2)cc1.
What is the InChIKey of 3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole?
The InChIKey is RYUMGNCTIDEIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3/c1-2-6-17(7-3-1)18-12-14-26(15-13-18)16-22-21-11-10-19-8-4-5-9-20(19)23(21)25-24-22/h1-9,18H,10-16H2,(H,24,25).
What are the key properties of 3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole?
3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole has a molecular weight of 343.47 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phenylpiperidin-1-yl)methyl]-4,5-dihydro-2H-benzo[g]indazole is sourced from PubChem (CID 21476930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).