5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole

C19H22N4O — CID 166277175

IUPAC5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
SMILESCOc1ccccc1N1CCN(Cc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C19H22N4O/c1-24-19-5-3-2-4-18(19)23-10-8-22(9-11-23)14-15-6-7-17-16(12-15)13-20-21-17/h2-7,12-13H,8-11,14H2,1H3,(H,20,21)
InChIKeyZCWZSYOWPCRAMB-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.89
Rot. Bonds4

About 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole

5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole (PubChem CID 166277175) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole.

Molecular Properties

Compound Name5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
PubChem CID166277175
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole
SMILESCOc1ccccc1N1CCN(Cc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C19H22N4O/c1-24-19-5-3-2-4-18(19)23-10-8-22(9-11-23)14-15-6-7-17-16(12-15)13-20-21-17/h2-7,12-13H,8-11,14H2,1H3,(H,20,21)
InChIKeyZCWZSYOWPCRAMB-UHFFFAOYSA-N
XLogP2.89
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-naphthalen-2-yl-1H-indazole
CID 22260984
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1H-indazol-6-amine
CID 56597366
5-[4-(2-methoxyphenyl)piperazin-1-yl]-2H-1,2,4-triazine-3-thione
CID 23412211
1-[[4-(cyclopenta-2,4-dien-1-ylidenemethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 102040490
1-(2-methoxyphenyl)-4-[(5-phenyl-3-pyridinyl)methyl]piperazine;1-(2-methoxyphenyl)piperazine;dihydrate;trihydrochloride
CID 159209480
[2-methoxy-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl] N-methylcarbamate;hydrochloride
CID 142647330
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 166277174
1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine
CID 14198545
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole?
The IUPAC name of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole (CID 166277175) is 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole.
What is the SMILES notation for 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole?
The canonical SMILES for 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole is COc1ccccc1N1CCN(Cc2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole?
The InChIKey is ZCWZSYOWPCRAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-24-19-5-3-2-4-18(19)23-10-8-22(9-11-23)14-15-6-7-17-16(12-15)13-20-21-17/h2-7,12-13H,8-11,14H2,1H3,(H,20,21).
What are the key properties of 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole?
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole has a molecular weight of 322.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-indazole is sourced from PubChem (CID 166277175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).