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

C9H18FN3O — CID 129496379

IUPAC2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CCC(CCF)CC1)=NO
InChIInChI=1S/C9H18FN3O/c10-4-1-8-2-5-13(6-3-8)7-9(11)12-14/h8,14H,1-7H2,(H2,11,12)
InChIKeyJLVPPTUWLOLPBJ-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.80
Rot. Bonds4

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

2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 129496379) has the molecular formula C9H18FN3O and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide
PubChem CID129496379
Molecular FormulaC9H18FN3O
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide
SMILESNC(CN1CCC(CCF)CC1)=NO
InChIInChI=1S/C9H18FN3O/c10-4-1-8-2-5-13(6-3-8)7-9(11)12-14/h8,14H,1-7H2,(H2,11,12)
InChIKeyJLVPPTUWLOLPBJ-UHFFFAOYSA-N
XLogP0.80
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.80
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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Related Compounds

N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
CID 129393091
2-[(3S)-3-fluoropyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129494574
2-[4-(cyclopropylsulfamoylamino)piperidin-1-yl]-N'-hydroxyethanimidamide
CID 104978488
1-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)urea
CID 104858961
N'-hydroxy-2-(4-hydroxy-3-propylpiperidin-1-yl)ethanimidamide
CID 121202978
N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
CID 129381008
2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129493815
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxyethanimidamide
CID 43581531
N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
CID 76937108
2-(4-cyclobutylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 121201830
2-(4-ethylpiperazin-1-yl)-N'-hydroxyethanimidamide
CID 74312988
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide (CID 129496379) is 2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide is NC(CN1CCC(CCF)CC1)=NO.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is JLVPPTUWLOLPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O/c10-4-1-8-2-5-13(6-3-8)7-9(11)12-14/h8,14H,1-7H2,(H2,11,12).
What are the key properties of 2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 203.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)piperidin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 129496379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).