1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol

C19H19Cl2N3O — CID 162718521

IUPAC1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(-c3cc(Cl)c4cn[nH]c4c3Cl)cc2)CC1
InChIInChI=1S/C19H19Cl2N3O/c20-17-9-15(18(21)19-16(17)10-22-23-19)13-3-1-12(2-4-13)11-24-7-5-14(25)6-8-24/h1-4,9-10,14,25H,5-8,11H2,(H,22,23)
InChIKeyVFRVXMIOFWDKMC-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.49
Rot. Bonds3

About 1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol

1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol (PubChem CID 162718521) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol
PubChem CID162718521
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc(-c3cc(Cl)c4cn[nH]c4c3Cl)cc2)CC1
InChIInChI=1S/C19H19Cl2N3O/c20-17-9-15(18(21)19-16(17)10-22-23-19)13-3-1-12(2-4-13)11-24-7-5-14(25)6-8-24/h1-4,9-10,14,25H,5-8,11H2,(H,22,23)
InChIKeyVFRVXMIOFWDKMC-UHFFFAOYSA-N
XLogP4.49
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol (CID 162718521) is 1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol is OC1CCN(Cc2ccc(-c3cc(Cl)c4cn[nH]c4c3Cl)cc2)CC1.
What is the InChIKey of 1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol?
The InChIKey is VFRVXMIOFWDKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c20-17-9-15(18(21)19-16(17)10-22-23-19)13-3-1-12(2-4-13)11-24-7-5-14(25)6-8-24/h1-4,9-10,14,25H,5-8,11H2,(H,22,23).
What are the key properties of 1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol?
1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol has a molecular weight of 376.29 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4,7-dichloro-1H-indazol-6-yl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 162718521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).