[2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C11H17N3O2 — CID 43421291

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCCC2CO)cn1
InChIInChI=1S/C11H17N3O2/c1-13-7-9(6-12-13)11(16)14-5-3-2-4-10(14)8-15/h6-7,10,15H,2-5,8H2,1H3
InChIKeySERUYJDWWATTOS-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.41
Rot. Bonds2

About [2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 43421291) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID43421291
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCCC2CO)cn1
InChIInChI=1S/C11H17N3O2/c1-13-7-9(6-12-13)11(16)14-5-3-2-4-10(14)8-15/h6-7,10,15H,2-5,8H2,1H3
InChIKeySERUYJDWWATTOS-UHFFFAOYSA-N
XLogP0.41
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 43421291) is [2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCCCC2CO)cn1.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is SERUYJDWWATTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-7-9(6-12-13)11(16)14-5-3-2-4-10(14)8-15/h6-7,10,15H,2-5,8H2,1H3.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 43421291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).