N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine

C20H24FN3O — CID 13431730

IUPACN-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1F)c1cc(OC)ccc1NC1CCN(C)CC1
InChIInChI=1S/C20H24FN3O/c1-24-11-9-14(10-12-24)23-19-8-7-15(25-2)13-17(19)20(22)16-5-3-4-6-18(16)21/h3-8,13-14,22-23H,9-12H2,1-2H3/b22-20+
InChIKeyCNLDWEBSQJZEHD-LSDHQDQOSA-N
MW341.43 g/mol
LogP3.76
Rot. Bonds5

About N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine

N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine (PubChem CID 13431730) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine
PubChem CID13431730
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1F)c1cc(OC)ccc1NC1CCN(C)CC1
InChIInChI=1S/C20H24FN3O/c1-24-11-9-14(10-12-24)23-19-8-7-15(25-2)13-17(19)20(22)16-5-3-4-6-18(16)21/h3-8,13-14,22-23H,9-12H2,1-2H3/b22-20+
InChIKeyCNLDWEBSQJZEHD-LSDHQDQOSA-N
XLogP3.76
TPSA48.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine (CID 13431730) is N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine is [H]/N=C(\c1ccccc1F)c1cc(OC)ccc1NC1CCN(C)CC1.
What is the InChIKey of N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine?
The InChIKey is CNLDWEBSQJZEHD-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-24-11-9-14(10-12-24)23-19-8-7-15(25-2)13-17(19)20(22)16-5-3-4-6-18(16)21/h3-8,13-14,22-23H,9-12H2,1-2H3/b22-20+.
What are the key properties of N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine?
N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine has a molecular weight of 341.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorobenzenecarboximidoyl)-4-methoxyphenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 13431730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).