2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide

C15H22FN3O — CID 174091010

IUPAC2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide
SMILESC[C@@H]1CC[C@@H](C)N(C(/C(N)=N/O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN3O/c1-10-3-4-11(2)19(9-10)14(15(17)18-20)12-5-7-13(16)8-6-12/h5-8,10-11,14,20H,3-4,9H2,1-2H3,(H2,17,18)/t10-,11-,14?/m1/s1
InChIKeyOVYGCXFFPYHKHP-HRQHSXBYSA-N
MW279.36 g/mol
LogP2.73
Rot. Bonds3

About 2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide

2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide (PubChem CID 174091010) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide
PubChem CID174091010
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide
SMILESC[C@@H]1CC[C@@H](C)N(C(/C(N)=N/O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN3O/c1-10-3-4-11(2)19(9-10)14(15(17)18-20)12-5-7-13(16)8-6-12/h5-8,10-11,14,20H,3-4,9H2,1-2H3,(H2,17,18)/t10-,11-,14?/m1/s1
InChIKeyOVYGCXFFPYHKHP-HRQHSXBYSA-N
XLogP2.73
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide (CID 174091010) is 2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide is C[C@@H]1CC[C@@H](C)N(C(/C(N)=N/O)c2ccc(F)cc2)C1.
What is the InChIKey of 2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide?
The InChIKey is OVYGCXFFPYHKHP-HRQHSXBYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-3-4-11(2)19(9-10)14(15(17)18-20)12-5-7-13(16)8-6-12/h5-8,10-11,14,20H,3-4,9H2,1-2H3,(H2,17,18)/t10-,11-,14?/m1/s1.
What are the key properties of 2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide?
2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide has a molecular weight of 279.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5R)-2,5-dimethylpiperidin-1-yl]-2-(4-fluorophenyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 174091010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).