4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide

C14H23N5O — CID 136929322

IUPAC4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCC1CN(C)CCC1NCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C14H23N5O/c1-10-9-19(2)6-4-12(10)17-8-11-3-5-16-13(7-11)14(15)18-20/h3,5,7,10,12,17,20H,4,6,8-9H2,1-2H3,(H2,15,18)
InChIKeyQSUWFFPARYXKNK-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.61
Rot. Bonds4

About 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide

4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136929322) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID136929322
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCC1CN(C)CCC1NCc1ccnc(/C(N)=N/O)c1
InChIInChI=1S/C14H23N5O/c1-10-9-19(2)6-4-12(10)17-8-11-3-5-16-13(7-11)14(15)18-20/h3,5,7,10,12,17,20H,4,6,8-9H2,1-2H3,(H2,15,18)
InChIKeyQSUWFFPARYXKNK-UHFFFAOYSA-N
XLogP0.61
TPSA86.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide (CID 136929322) is 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide is CC1CN(C)CCC1NCc1ccnc(/C(N)=N/O)c1.
What is the InChIKey of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is QSUWFFPARYXKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-10-9-19(2)6-4-12(10)17-8-11-3-5-16-13(7-11)14(15)18-20/h3,5,7,10,12,17,20H,4,6,8-9H2,1-2H3,(H2,15,18).
What are the key properties of 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide?
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136929322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).