N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine

C19H22FN3 — CID 13431727

IUPACN-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1)c1cc(F)ccc1NC1CCN(C)CC1
InChIInChI=1S/C19H22FN3/c1-23-11-9-16(10-12-23)22-18-8-7-15(20)13-17(18)19(21)14-5-3-2-4-6-14/h2-8,13,16,21-22H,9-12H2,1H3/b21-19+
InChIKeyBZRCTKBFVNVNGW-XUTLUUPISA-N
MW311.40 g/mol
LogP3.75
Rot. Bonds4

About N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine

N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine (PubChem CID 13431727) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine
PubChem CID13431727
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC NameN-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1)c1cc(F)ccc1NC1CCN(C)CC1
InChIInChI=1S/C19H22FN3/c1-23-11-9-16(10-12-23)22-18-8-7-15(20)13-17(18)19(21)14-5-3-2-4-6-14/h2-8,13,16,21-22H,9-12H2,1H3/b21-19+
InChIKeyBZRCTKBFVNVNGW-XUTLUUPISA-N
XLogP3.75
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine (CID 13431727) is N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine is [H]/N=C(\c1ccccc1)c1cc(F)ccc1NC1CCN(C)CC1.
What is the InChIKey of N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine?
The InChIKey is BZRCTKBFVNVNGW-XUTLUUPISA-N. The full InChI is InChI=1S/C19H22FN3/c1-23-11-9-16(10-12-23)22-18-8-7-15(20)13-17(18)19(21)14-5-3-2-4-6-14/h2-8,13,16,21-22H,9-12H2,1H3/b21-19+.
What are the key properties of N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine?
N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine has a molecular weight of 311.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenecarboximidoyl)-4-fluorophenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 13431727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).