[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C13H18N2O2 — CID 43422119

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(CO)C2)n1
InChIInChI=1S/C13H18N2O2/c1-10-4-2-6-12(14-10)13(17)15-7-3-5-11(8-15)9-16/h2,4,6,11,16H,3,5,7-9H2,1H3
InChIKeySQIONBAJZJBCOE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.23
Rot. Bonds2

About [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 43422119) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID43422119
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(CO)C2)n1
InChIInChI=1S/C13H18N2O2/c1-10-4-2-6-12(14-10)13(17)15-7-3-5-11(8-15)9-16/h2,4,6,11,16H,3,5,7-9H2,1H3
InChIKeySQIONBAJZJBCOE-UHFFFAOYSA-N
XLogP1.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 43422119) is [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCCC(CO)C2)n1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is SQIONBAJZJBCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-4-2-6-12(14-10)13(17)15-7-3-5-11(8-15)9-16/h2,4,6,11,16H,3,5,7-9H2,1H3.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 43422119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).