2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide

C9H18FN3O2 — CID 121203057

IUPAC2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCC(O)C(CCF)C1)=N\O
InChIInChI=1S/C9H18FN3O2/c10-3-1-7-5-13(4-2-8(7)14)6-9(11)12-15/h7-8,14-15H,1-6H2,(H2,11,12)
InChIKeySDHDLIVWAAXEID-UHFFFAOYSA-N
MW219.26 g/mol
LogP-0.22
Rot. Bonds4

About 2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide

2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 121203057) has the molecular formula C9H18FN3O2 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide
PubChem CID121203057
Molecular FormulaC9H18FN3O2
Molecular Weight219.26 g/mol
Exact Mass219.14
IUPAC Name2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide
SMILESN/C(CN1CCC(O)C(CCF)C1)=N\O
InChIInChI=1S/C9H18FN3O2/c10-3-1-7-5-13(4-2-8(7)14)6-9(11)12-15/h7-8,14-15H,1-6H2,(H2,11,12)
InChIKeySDHDLIVWAAXEID-UHFFFAOYSA-N
XLogP-0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
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 2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide (CID 121203057) is 2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide is N/C(CN1CCC(O)C(CCF)C1)=N\O.
What is the InChIKey of 2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is SDHDLIVWAAXEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O2/c10-3-1-7-5-13(4-2-8(7)14)6-9(11)12-15/h7-8,14-15H,1-6H2,(H2,11,12).
What are the key properties of 2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide?
2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 219.26 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoroethyl)-4-hydroxypiperidin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 121203057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).