5-(hydroxymethyl)-2-piperidin-1-ylbenzamide

C13H18N2O2 — CID 68506696

IUPAC5-(hydroxymethyl)-2-piperidin-1-ylbenzamide
SMILESNC(=O)c1cc(CO)ccc1N1CCCCC1
InChIInChI=1S/C13H18N2O2/c14-13(17)11-8-10(9-16)4-5-12(11)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9H2,(H2,14,17)
InChIKeySEFLXUSWGUAWPR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.27
Rot. Bonds3

About 5-(hydroxymethyl)-2-piperidin-1-ylbenzamide

5-(hydroxymethyl)-2-piperidin-1-ylbenzamide (PubChem CID 68506696) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-piperidin-1-ylbenzamide
PubChem CID68506696
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(hydroxymethyl)-2-piperidin-1-ylbenzamide
SMILESNC(=O)c1cc(CO)ccc1N1CCCCC1
InChIInChI=1S/C13H18N2O2/c14-13(17)11-8-10(9-16)4-5-12(11)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9H2,(H2,14,17)
InChIKeySEFLXUSWGUAWPR-UHFFFAOYSA-N
XLogP1.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-(hydroxymethyl)-2-piperidin-1-ylbenzamide (CID 68506696) is 5-(hydroxymethyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(hydroxymethyl)-2-piperidin-1-ylbenzamide is NC(=O)c1cc(CO)ccc1N1CCCCC1.
What is the InChIKey of 5-(hydroxymethyl)-2-piperidin-1-ylbenzamide?
The InChIKey is SEFLXUSWGUAWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(17)11-8-10(9-16)4-5-12(11)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9H2,(H2,14,17).
What are the key properties of 5-(hydroxymethyl)-2-piperidin-1-ylbenzamide?
5-(hydroxymethyl)-2-piperidin-1-ylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 68506696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).