2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol

C21H26N4O — CID 126812784

IUPAC2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol
SMILESCC1CN(Cc2ccc3cn[nH]c3c2)CCN1CC(O)c1ccccc1
InChIInChI=1S/C21H26N4O/c1-16-13-24(14-17-7-8-19-12-22-23-20(19)11-17)9-10-25(16)15-21(26)18-5-3-2-4-6-18/h2-8,11-12,16,21,26H,9-10,13-15H2,1H3,(H,22,23)
InChIKeyFWCCWONVMKPSGM-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.80
Rot. Bonds5

About 2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol

2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol (PubChem CID 126812784) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol
PubChem CID126812784
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol
SMILESCC1CN(Cc2ccc3cn[nH]c3c2)CCN1CC(O)c1ccccc1
InChIInChI=1S/C21H26N4O/c1-16-13-24(14-17-7-8-19-12-22-23-20(19)11-17)9-10-25(16)15-21(26)18-5-3-2-4-6-18/h2-8,11-12,16,21,26H,9-10,13-15H2,1H3,(H,22,23)
InChIKeyFWCCWONVMKPSGM-UHFFFAOYSA-N
XLogP2.80
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol (CID 126812784) is 2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol is CC1CN(Cc2ccc3cn[nH]c3c2)CCN1CC(O)c1ccccc1.
What is the InChIKey of 2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol?
The InChIKey is FWCCWONVMKPSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-13-24(14-17-7-8-19-12-22-23-20(19)11-17)9-10-25(16)15-21(26)18-5-3-2-4-6-18/h2-8,11-12,16,21,26H,9-10,13-15H2,1H3,(H,22,23).
What are the key properties of 2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol?
2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol has a molecular weight of 350.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indazol-6-ylmethyl)-2-methylpiperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 126812784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).