3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole

C19H22N4 — CID 23194192

IUPAC3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole
SMILESc1ccc(CN2CCN(Cc3[nH]nc4ccccc34)CC2)cc1
InChIInChI=1S/C19H22N4/c1-2-6-16(7-3-1)14-22-10-12-23(13-11-22)15-19-17-8-4-5-9-18(17)20-21-19/h1-9H,10-15H2,(H,20,21)
InChIKeyONSAVSCLNFBHPH-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.88
Rot. Bonds4

About 3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole

3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole (PubChem CID 23194192) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole.

Molecular Properties

Compound Name3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole
PubChem CID23194192
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole
SMILESc1ccc(CN2CCN(Cc3[nH]nc4ccccc34)CC2)cc1
InChIInChI=1S/C19H22N4/c1-2-6-16(7-3-1)14-22-10-12-23(13-11-22)15-19-17-8-4-5-9-18(17)20-21-19/h1-9H,10-15H2,(H,20,21)
InChIKeyONSAVSCLNFBHPH-UHFFFAOYSA-N
XLogP2.88
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-benzylpiperidin-4-yl)ethyl]-2H-indazole;(Z)-but-2-enedioic acid
CID 70128670
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-[[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]-2H-indazole
CID 70693471
3-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-methoxy-2H-indazole
CID 56898962
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
(1S)-1-[1-[(6-methoxy-2H-indazol-3-yl)methyl]piperidin-4-yl]-2-phenylethanol
CID 95885516
7-hydroxy-2-(2H-indazol-3-ylmethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165324
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
3-ethyl-2H-indazole;molecular hydrogen
CID 156727025
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
3-(piperazin-1-ylmethyl)-2H-pyrazolo[4,3-c]pyridine
CID 84682992
1-benzylazepane
CID 10954328

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole?
The IUPAC name of 3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole (CID 23194192) is 3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole.
What is the SMILES notation for 3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole?
The canonical SMILES for 3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole is c1ccc(CN2CCN(Cc3[nH]nc4ccccc34)CC2)cc1.
What is the InChIKey of 3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole?
The InChIKey is ONSAVSCLNFBHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-2-6-16(7-3-1)14-22-10-12-23(13-11-22)15-19-17-8-4-5-9-18(17)20-21-19/h1-9H,10-15H2,(H,20,21).
What are the key properties of 3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole?
3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole has a molecular weight of 306.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperazin-1-yl)methyl]-2H-indazole is sourced from PubChem (CID 23194192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).