(1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol

C11H19N3O — CID 79583737

IUPAC(1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol
SMILESCc1c(C(O)C2CCCCN2)cnn1C
InChIInChI=1S/C11H19N3O/c1-8-9(7-13-14(8)2)11(15)10-5-3-4-6-12-10/h7,10-12,15H,3-6H2,1-2H3
InChIKeyXPJXZYGUZNJIJL-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.90
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol

(1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol (PubChem CID 79583737) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol
PubChem CID79583737
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name(1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol
SMILESCc1c(C(O)C2CCCCN2)cnn1C
InChIInChI=1S/C11H19N3O/c1-8-9(7-13-14(8)2)11(15)10-5-3-4-6-12-10/h7,10-12,15H,3-6H2,1-2H3
InChIKeyXPJXZYGUZNJIJL-UHFFFAOYSA-N
XLogP0.90
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol (CID 79583737) is (1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol is Cc1c(C(O)C2CCCCN2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol?
The InChIKey is XPJXZYGUZNJIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-9(7-13-14(8)2)11(15)10-5-3-4-6-12-10/h7,10-12,15H,3-6H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol?
(1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol has a molecular weight of 209.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-piperidin-2-ylmethanol is sourced from PubChem (CID 79583737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).