2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide

C14H20FN3O — CID 107227616

IUPAC2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCCC(CCO)C1
InChIInChI=1S/C14H20FN3O/c15-11-4-1-5-12(13(11)14(16)17)18-7-2-3-10(9-18)6-8-19/h1,4-5,10,19H,2-3,6-9H2,(H3,16,17)
InChIKeySEENYRSFCBXRNF-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.71
Rot. Bonds4

About 2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide

2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide (PubChem CID 107227616) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
PubChem CID107227616
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCCC(CCO)C1
InChIInChI=1S/C14H20FN3O/c15-11-4-1-5-12(13(11)14(16)17)18-7-2-3-10(9-18)6-8-19/h1,4-5,10,19H,2-3,6-9H2,(H3,16,17)
InChIKeySEENYRSFCBXRNF-UHFFFAOYSA-N
XLogP1.71
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587111
2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
CID 79015592
2-fluoro-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223288
2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678798
2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253606
2-ethylsulfanyl-6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 114797865
2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 79515780
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylsulfanylbenzenecarboximidamide
CID 106587102
6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
CID 114797876
2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide
CID 79520152
N'-hydroxy-2-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227549
[1-[2-(aminomethyl)-3-fluorophenyl]piperidin-3-yl]methanol
CID 79516188

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide (CID 107227616) is 2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1N1CCCC(CCO)C1.
What is the InChIKey of 2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is SEENYRSFCBXRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-11-4-1-5-12(13(11)14(16)17)18-7-2-3-10(9-18)6-8-19/h1,4-5,10,19H,2-3,6-9H2,(H3,16,17).
What are the key properties of 2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide?
2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 265.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 107227616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).