5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide

C13H19N3O2 — CID 61407227

IUPAC5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide
SMILESNC(=O)c1cc(N)ccc1N1CCCCC1CO
InChIInChI=1S/C13H19N3O2/c14-9-4-5-12(11(7-9)13(15)18)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8,14H2,(H2,15,18)
InChIKeyGYRGKRXCSIVWHK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.72
Rot. Bonds3

About 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide

5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide (PubChem CID 61407227) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide.

Molecular Properties

Compound Name5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide
PubChem CID61407227
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide
SMILESNC(=O)c1cc(N)ccc1N1CCCCC1CO
InChIInChI=1S/C13H19N3O2/c14-9-4-5-12(11(7-9)13(15)18)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8,14H2,(H2,15,18)
InChIKeyGYRGKRXCSIVWHK-UHFFFAOYSA-N
XLogP0.72
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 54888136
[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol
CID 61410897
[1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol
CID 66093339
2-amino-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 115545034
5-chloro-2-[2-(hydroxymethyl)azepan-1-yl]benzenecarbothioamide
CID 116634840
2-[1-(2-carbamoyl-4-chlorophenyl)piperidin-2-yl]acetic acid
CID 62494147
5-amino-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]benzoic acid
CID 62889596
4-[2-(hydroxymethyl)piperidin-1-yl]-3-nitrobenzamide
CID 60631710
5-fluoro-2-[2-(hydroxymethyl)piperidin-1-yl]benzaldehyde
CID 61407533
methyl 5-amino-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzoate
CID 62479452
3-amino-4-[2-(hydroxymethyl)azepan-1-yl]-N-methylbenzamide
CID 116633969
1-[2-[2-(hydroxymethyl)piperidin-1-yl]-5-nitrophenyl]ethanone
CID 62873749

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide?
The IUPAC name of 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide (CID 61407227) is 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide.
What is the SMILES notation for 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide?
The canonical SMILES for 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide is NC(=O)c1cc(N)ccc1N1CCCCC1CO.
What is the InChIKey of 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide?
The InChIKey is GYRGKRXCSIVWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-9-4-5-12(11(7-9)13(15)18)16-6-2-1-3-10(16)8-17/h4-5,7,10,17H,1-3,6,8,14H2,(H2,15,18).
What are the key properties of 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide?
5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide is sourced from PubChem (CID 61407227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).