2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide

C9H18FN3O — CID 121203178

IUPAC2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide
SMILESCC1(CF)CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C9H18FN3O/c1-9(7-10)2-4-13(5-3-9)6-8(11)12-14/h14H,2-7H2,1H3,(H2,11,12)
InChIKeySDRWIASOKPKDLR-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.80
Rot. Bonds3

About 2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide

2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 121203178) has the molecular formula C9H18FN3O and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide
PubChem CID121203178
Molecular FormulaC9H18FN3O
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Name2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide
SMILESCC1(CF)CCN(C/C(N)=N/O)CC1
InChIInChI=1S/C9H18FN3O/c1-9(7-10)2-4-13(5-3-9)6-8(11)12-14/h14H,2-7H2,1H3,(H2,11,12)
InChIKeySDRWIASOKPKDLR-UHFFFAOYSA-N
XLogP0.80
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide (CID 121203178) is 2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide is CC1(CF)CCN(C/C(N)=N/O)CC1.
What is the InChIKey of 2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is SDRWIASOKPKDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN3O/c1-9(7-10)2-4-13(5-3-9)6-8(11)12-14/h14H,2-7H2,1H3,(H2,11,12).
What are the key properties of 2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 203.26 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(fluoromethyl)-4-methylpiperidin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 121203178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).