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

C12H19N3O2 — CID 60741684

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCCC2CCO)cn1
InChIInChI=1S/C12H19N3O2/c1-14-9-10(8-13-14)12(17)15-6-3-2-4-11(15)5-7-16/h8-9,11,16H,2-7H2,1H3
InChIKeyIWMALVAFAOUFFO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.80
Rot. Bonds3

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

[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 60741684) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID60741684
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCCC2CCO)cn1
InChIInChI=1S/C12H19N3O2/c1-14-9-10(8-13-14)12(17)15-6-3-2-4-11(15)5-7-16/h8-9,11,16H,2-7H2,1H3
InChIKeyIWMALVAFAOUFFO-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 60741684) is [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CCCCC2CCO)cn1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is IWMALVAFAOUFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-9-10(8-13-14)12(17)15-6-3-2-4-11(15)5-7-16/h8-9,11,16H,2-7H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 60741684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).