[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C12H19N3O2 — CID 62372669

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(CCO)C2)cn1
InChIInChI=1S/C12H19N3O2/c1-14-9-11(7-13-14)12(17)15-5-2-3-10(8-15)4-6-16/h7,9-10,16H,2-6,8H2,1H3
InChIKeyWFSUWKDFBRLYOQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.65
Rot. Bonds3

About [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 62372669) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID62372669
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(CCO)C2)cn1
InChIInChI=1S/C12H19N3O2/c1-14-9-11(7-13-14)12(17)15-5-2-3-10(8-15)4-6-16/h7,9-10,16H,2-6,8H2,1H3
InChIKeyWFSUWKDFBRLYOQ-UHFFFAOYSA-N
XLogP0.65
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 62372669) is [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCCC(CCO)C2)cn1.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is WFSUWKDFBRLYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-9-11(7-13-14)12(17)15-5-2-3-10(8-15)4-6-16/h7,9-10,16H,2-6,8H2,1H3.
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 62372669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).