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'}

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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).