(1-methylpyrazol-4-yl)-piperidin-4-ylmethanol

C10H17N3O — CID 43146501

IUPAC(1-methylpyrazol-4-yl)-piperidin-4-ylmethanol
SMILESCn1cc(C(O)C2CCNCC2)cn1
InChIInChI=1S/C10H17N3O/c1-13-7-9(6-12-13)10(14)8-2-4-11-5-3-8/h6-8,10-11,14H,2-5H2,1H3
InChIKeyVGAHURAZVLFSGQ-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.45
Rot. Bonds2

About (1-methylpyrazol-4-yl)-piperidin-4-ylmethanol

(1-methylpyrazol-4-yl)-piperidin-4-ylmethanol (PubChem CID 43146501) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-piperidin-4-ylmethanol.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-piperidin-4-ylmethanol
PubChem CID43146501
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(1-methylpyrazol-4-yl)-piperidin-4-ylmethanol
SMILESCn1cc(C(O)C2CCNCC2)cn1
InChIInChI=1S/C10H17N3O/c1-13-7-9(6-12-13)10(14)8-2-4-11-5-3-8/h6-8,10-11,14H,2-5H2,1H3
InChIKeyVGAHURAZVLFSGQ-UHFFFAOYSA-N
XLogP0.45
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-piperidin-4-ylmethanol?
The IUPAC name of (1-methylpyrazol-4-yl)-piperidin-4-ylmethanol (CID 43146501) is (1-methylpyrazol-4-yl)-piperidin-4-ylmethanol.
What is the SMILES notation for (1-methylpyrazol-4-yl)-piperidin-4-ylmethanol?
The canonical SMILES for (1-methylpyrazol-4-yl)-piperidin-4-ylmethanol is Cn1cc(C(O)C2CCNCC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-piperidin-4-ylmethanol?
The InChIKey is VGAHURAZVLFSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-7-9(6-12-13)10(14)8-2-4-11-5-3-8/h6-8,10-11,14H,2-5H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-piperidin-4-ylmethanol?
(1-methylpyrazol-4-yl)-piperidin-4-ylmethanol has a molecular weight of 195.27 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-piperidin-4-ylmethanol is sourced from PubChem (CID 43146501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).