1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole

C19H20ClN3O — CID 68531582

IUPAC1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole
SMILESClc1ccc(-n2nc(OCC3CCCNC3)c3ccccc32)cc1
InChIInChI=1S/C19H20ClN3O/c20-15-7-9-16(10-8-15)23-18-6-2-1-5-17(18)19(22-23)24-13-14-4-3-11-21-12-14/h1-2,5-10,14,21H,3-4,11-13H2
InChIKeyMVYGBWVMIIXJPI-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.06
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole

1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole (PubChem CID 68531582) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole
PubChem CID68531582
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole
SMILESClc1ccc(-n2nc(OCC3CCCNC3)c3ccccc32)cc1
InChIInChI=1S/C19H20ClN3O/c20-15-7-9-16(10-8-15)23-18-6-2-1-5-17(18)19(22-23)24-13-14-4-3-11-21-12-14/h1-2,5-10,14,21H,3-4,11-13H2
InChIKeyMVYGBWVMIIXJPI-UHFFFAOYSA-N
XLogP4.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole?
The IUPAC name of 1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole (CID 68531582) is 1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole?
The canonical SMILES for 1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole is Clc1ccc(-n2nc(OCC3CCCNC3)c3ccccc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole?
The InChIKey is MVYGBWVMIIXJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-15-7-9-16(10-8-15)23-18-6-2-1-5-17(18)19(22-23)24-13-14-4-3-11-21-12-14/h1-2,5-10,14,21H,3-4,11-13H2.
What are the key properties of 1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole?
1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole has a molecular weight of 341.84 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole is sourced from PubChem (CID 68531582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).