3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide

C15H23N3O2 — CID 82990194

IUPAC3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCC(CO)CC2)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-17(2)15(20)12-3-4-14(13(16)9-12)18-7-5-11(10-19)6-8-18/h3-4,9,11,19H,5-8,10,16H2,1-2H3
InChIKeyVUBLFDIEPIUUGA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.18
Rot. Bonds3

About 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide

3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide (PubChem CID 82990194) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide
PubChem CID82990194
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N2CCC(CO)CC2)c(N)c1
InChIInChI=1S/C15H23N3O2/c1-17(2)15(20)12-3-4-14(13(16)9-12)18-7-5-11(10-19)6-8-18/h3-4,9,11,19H,5-8,10,16H2,1-2H3
InChIKeyVUBLFDIEPIUUGA-UHFFFAOYSA-N
XLogP1.18
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide (CID 82990194) is 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N2CCC(CO)CC2)c(N)c1.
What is the InChIKey of 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide?
The InChIKey is VUBLFDIEPIUUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(2)15(20)12-3-4-14(13(16)9-12)18-7-5-11(10-19)6-8-18/h3-4,9,11,19H,5-8,10,16H2,1-2H3.
What are the key properties of 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide?
3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 82990194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).