2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide

C13H18FN3O — CID 114678798

IUPAC2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCC(O)C(C)C1
InChIInChI=1S/C13H18FN3O/c1-8-7-17(6-5-11(8)18)10-4-2-3-9(14)12(10)13(15)16/h2-4,8,11,18H,5-7H2,1H3,(H3,15,16)
InChIKeyGGZCPQRXQYFTKS-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.32
Rot. Bonds2

About 2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide

2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 114678798) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
PubChem CID114678798
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1N1CCC(O)C(C)C1
InChIInChI=1S/C13H18FN3O/c1-8-7-17(6-5-11(8)18)10-4-2-3-9(14)12(10)13(15)16/h2-4,8,11,18H,5-7H2,1H3,(H3,15,16)
InChIKeyGGZCPQRXQYFTKS-UHFFFAOYSA-N
XLogP1.32
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.32
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'}

Analyze 2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hydroxy-3-methylpiperidin-1-yl)-6-methylsulfanylbenzenecarboximidamide
CID 114678809
2-fluoro-6-(3-piperidin-1-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 79515780
2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
CID 79015592
2-fluoro-6-[3-(methoxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 106587111
5-chloro-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678819
2-fluoro-6-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227616
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
CID 104940982
3-chloro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678801
2-fluoro-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidamide
CID 79519738
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-6-fluorobenzamide
CID 114961745
2-(3,3-dimethylpiperidin-1-yl)-6-fluorobenzenecarboximidamide
CID 79520152
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide (CID 114678798) is 2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1N1CCC(O)C(C)C1.
What is the InChIKey of 2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is GGZCPQRXQYFTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-8-7-17(6-5-11(8)18)10-4-2-3-9(14)12(10)13(15)16/h2-4,8,11,18H,5-7H2,1H3,(H3,15,16).
What are the key properties of 2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide?
2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 251.30 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 114678798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).