1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol

C13H16ClN3O — CID 135262499

IUPAC1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc3[nH]ncc3cc2Cl)CC1
InChIInChI=1S/C13H16ClN3O/c1-13(18)2-4-17(5-3-13)12-7-11-9(6-10(12)14)8-15-16-11/h6-8,18H,2-5H2,1H3,(H,15,16)
InChIKeyFGIBOXDASCWCDD-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.57
Rot. Bonds1

About 1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol

1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol (PubChem CID 135262499) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol
PubChem CID135262499
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2cc3[nH]ncc3cc2Cl)CC1
InChIInChI=1S/C13H16ClN3O/c1-13(18)2-4-17(5-3-13)12-7-11-9(6-10(12)14)8-15-16-11/h6-8,18H,2-5H2,1H3,(H,15,16)
InChIKeyFGIBOXDASCWCDD-UHFFFAOYSA-N
XLogP2.57
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol (CID 135262499) is 1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol is CC1(O)CCN(c2cc3[nH]ncc3cc2Cl)CC1.
What is the InChIKey of 1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol?
The InChIKey is FGIBOXDASCWCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-13(18)2-4-17(5-3-13)12-7-11-9(6-10(12)14)8-15-16-11/h6-8,18H,2-5H2,1H3,(H,15,16).
What are the key properties of 1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol?
1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol has a molecular weight of 265.74 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indazol-6-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 135262499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).