3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride

C13H19ClFN3O — CID 82253493

IUPAC3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(N2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C13H18FN3O.ClH/c14-11-7-10(13(15)16)1-2-12(11)17-5-3-9(8-18)4-6-17;/h1-2,7,9,18H,3-6,8H2,(H3,15,16);1H
InChIKeyHMFLHHGOQBYEIT-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.74
Rot. Bonds3

About 3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride

3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride (PubChem CID 82253493) has the molecular formula C13H19ClFN3O and a molecular weight of 287.77 g/mol. Its IUPAC name is 3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
PubChem CID82253493
Molecular FormulaC13H19ClFN3O
Molecular Weight287.77 g/mol
Exact Mass287.12
IUPAC Name3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(N2CCC(CO)CC2)c(F)c1
InChIInChI=1S/C13H18FN3O.ClH/c14-11-7-10(13(15)16)1-2-12(11)17-5-3-9(8-18)4-6-17;/h1-2,7,9,18H,3-6,8H2,(H3,15,16);1H
InChIKeyHMFLHHGOQBYEIT-UHFFFAOYSA-N
XLogP1.74
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.74
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 3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride 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

3-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625734
3-fluoro-4-(4-methoxypiperidin-1-yl)benzenecarboximidamide
CID 43658309
3-fluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253607
4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-fluorobenzenecarboximidamide
CID 61441546
3-fluoro-4-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417637
[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
CID 43133145
4-(4-tert-butylpiperazin-1-yl)-3-fluorobenzenecarboximidamide
CID 61433267
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66391530
5-bromo-2-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 114892852
[1-[2-fluoro-4-(hydroxymethyl)phenyl]piperidin-4-yl]methanol
CID 43133225
[1-(2-fluoro-4-iodophenyl)piperidin-4-yl]methanol
CID 155172642
4-(1,3-dihydroisoindol-2-yl)-3-fluorobenzenecarboximidamide
CID 55050286

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride (CID 82253493) is 3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(N2CCC(CO)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride?
The InChIKey is HMFLHHGOQBYEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O.ClH/c14-11-7-10(13(15)16)1-2-12(11)17-5-3-9(8-18)4-6-17;/h1-2,7,9,18H,3-6,8H2,(H3,15,16);1H.
What are the key properties of 3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride?
3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride has a molecular weight of 287.77 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).