4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide

C16H25N3O2 — CID 104967571

IUPAC4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESC[C@@H]1CCC[C@H](C)N1CCOc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C16H25N3O2/c1-12-4-3-5-13(2)19(12)10-11-21-15-8-6-14(7-9-15)16(17)18-20/h6-9,12-13,20H,3-5,10-11H2,1-2H3,(H2,17,18)/t12-,13+
InChIKeyHHSRRHHVKCPLLG-BETUJISGSA-N
MW291.39 g/mol
LogP2.42
Rot. Bonds5

About 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide

4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 104967571) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID104967571
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide
SMILESC[C@@H]1CCC[C@H](C)N1CCOc1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C16H25N3O2/c1-12-4-3-5-13(2)19(12)10-11-21-15-8-6-14(7-9-15)16(17)18-20/h6-9,12-13,20H,3-5,10-11H2,1-2H3,(H2,17,18)/t12-,13+
InChIKeyHHSRRHHVKCPLLG-BETUJISGSA-N
XLogP2.42
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide (CID 104967571) is 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide is C[C@@H]1CCC[C@H](C)N1CCOc1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is HHSRRHHVKCPLLG-BETUJISGSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-4-3-5-13(2)19(12)10-11-21-15-8-6-14(7-9-15)16(17)18-20/h6-9,12-13,20H,3-5,10-11H2,1-2H3,(H2,17,18)/t12-,13+.
What are the key properties of 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide?
4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 291.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 104967571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).