2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide

C14H23N5O — CID 136906728

IUPAC2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
SMILESCCC1(CC)CCN(c2nccc(/C(N)=N/O)n2)CC1
InChIInChI=1S/C14H23N5O/c1-3-14(4-2)6-9-19(10-7-14)13-16-8-5-11(17-13)12(15)18-20/h5,8,20H,3-4,6-7,9-10H2,1-2H3,(H2,15,18)
InChIKeyVGWOAAUTJWJJPU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.98
Rot. Bonds4

About 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide

2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide (PubChem CID 136906728) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
PubChem CID136906728
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
SMILESCCC1(CC)CCN(c2nccc(/C(N)=N/O)n2)CC1
InChIInChI=1S/C14H23N5O/c1-3-14(4-2)6-9-19(10-7-14)13-16-8-5-11(17-13)12(15)18-20/h5,8,20H,3-4,6-7,9-10H2,1-2H3,(H2,15,18)
InChIKeyVGWOAAUTJWJJPU-UHFFFAOYSA-N
XLogP1.98
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
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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Related Compounds

2-(3,3-dimethylpyrrolidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906855
N'-hydroxy-2-[4-(1-hydroxyethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 136906998
N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136986695
N'-hydroxy-2-(4-methylsulfonylpiperazin-1-yl)pyrimidine-4-carboximidamide
CID 136906717
2-(2,2-dimethylthiomorpholin-4-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906933
2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906689
2-(4,4-diethylpiperidin-1-yl)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76986665
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550631
2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)propan-1-one
CID 174680127
2-(azepan-1-yl)pyrimidine-4-carbothioamide
CID 107546180
2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine
CID 63160997

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
The IUPAC name of 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide (CID 136906728) is 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide is CCC1(CC)CCN(c2nccc(/C(N)=N/O)n2)CC1.
What is the InChIKey of 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
The InChIKey is VGWOAAUTJWJJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-14(4-2)6-9-19(10-7-14)13-16-8-5-11(17-13)12(15)18-20/h5,8,20H,3-4,6-7,9-10H2,1-2H3,(H2,15,18).
What are the key properties of 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide?
2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diethylpiperidin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide is sourced from PubChem (CID 136906728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).