4-(piperazin-1-ylmethyl)-1H-indazole

C12H16N4 — CID 82509172

IUPAC4-(piperazin-1-ylmethyl)-1H-indazole
SMILESc1cc(CN2CCNCC2)c2cn[nH]c2c1
InChIInChI=1S/C12H16N4/c1-2-10(9-16-6-4-13-5-7-16)11-8-14-15-12(11)3-1/h1-3,8,13H,4-7,9H2,(H,14,15)
InChIKeyAXRMVZKBNYCIEA-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.97
Rot. Bonds2

About 4-(piperazin-1-ylmethyl)-1H-indazole

4-(piperazin-1-ylmethyl)-1H-indazole (PubChem CID 82509172) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-(piperazin-1-ylmethyl)-1H-indazole.

Molecular Properties

Compound Name4-(piperazin-1-ylmethyl)-1H-indazole
PubChem CID82509172
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-(piperazin-1-ylmethyl)-1H-indazole
SMILESc1cc(CN2CCNCC2)c2cn[nH]c2c1
InChIInChI=1S/C12H16N4/c1-2-10(9-16-6-4-13-5-7-16)11-8-14-15-12(11)3-1/h1-3,8,13H,4-7,9H2,(H,14,15)
InChIKeyAXRMVZKBNYCIEA-UHFFFAOYSA-N
XLogP0.97
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(piperazin-1-ylmethyl)-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
CID 134690852
4-piperazin-1-yl-1H-indazole;hydrochloride
CID 131699602
1-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 82620222
3-bromo-7-(piperazin-1-ylmethyl)-2H-indazole
CID 117475753
4-(piperazin-1-ylmethyl)naphthalen-1-ol
CID 82263156
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
2-methyl-4-(piperazin-1-ylmethyl)-1,3-benzoxazole
CID 82510160
4-(diazepan-1-yl)-1H-indazole
CID 69190579
4-(piperazin-1-ylmethyl)triazolo[1,5-a]pyridine
CID 83887716
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
N-(1H-indazol-4-yl)piperazine-1-sulfonamide
CID 61254561
1-(naphthalen-1-ylmethyl)-1,5-diazocane
CID 62369644

Frequently Asked Questions

What is the IUPAC name of 4-(piperazin-1-ylmethyl)-1H-indazole?
The IUPAC name of 4-(piperazin-1-ylmethyl)-1H-indazole (CID 82509172) is 4-(piperazin-1-ylmethyl)-1H-indazole.
What is the SMILES notation for 4-(piperazin-1-ylmethyl)-1H-indazole?
The canonical SMILES for 4-(piperazin-1-ylmethyl)-1H-indazole is c1cc(CN2CCNCC2)c2cn[nH]c2c1.
What is the InChIKey of 4-(piperazin-1-ylmethyl)-1H-indazole?
The InChIKey is AXRMVZKBNYCIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-10(9-16-6-4-13-5-7-16)11-8-14-15-12(11)3-1/h1-3,8,13H,4-7,9H2,(H,14,15).
What are the key properties of 4-(piperazin-1-ylmethyl)-1H-indazole?
4-(piperazin-1-ylmethyl)-1H-indazole has a molecular weight of 216.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperazin-1-ylmethyl)-1H-indazole is sourced from PubChem (CID 82509172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).