2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline

C19H22FN3O — CID 177143229

IUPAC2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline
SMILES[H]/N=C(\c1cccc(F)c1)c1ccc(OC2CCNCC2)cc1NC
InChIInChI=1S/C19H22FN3O/c1-22-18-12-16(24-15-7-9-23-10-8-15)5-6-17(18)19(21)13-3-2-4-14(20)11-13/h2-6,11-12,15,21-23H,7-10H2,1H3/b21-19+
InChIKeyLFJCFMRWWBFHAT-XUTLUUPISA-N
MW327.40 g/mol
LogP3.41
Rot. Bonds5

About 2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline

2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline (PubChem CID 177143229) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline.

Molecular Properties

Compound Name2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline
PubChem CID177143229
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline
SMILES[H]/N=C(\c1cccc(F)c1)c1ccc(OC2CCNCC2)cc1NC
InChIInChI=1S/C19H22FN3O/c1-22-18-12-16(24-15-7-9-23-10-8-15)5-6-17(18)19(21)13-3-2-4-14(20)11-13/h2-6,11-12,15,21-23H,7-10H2,1H3/b21-19+
InChIKeyLFJCFMRWWBFHAT-XUTLUUPISA-N
XLogP3.41
TPSA57.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluorobenzenecarboximidoyl)benzene-1,3-diamine
CID 163940472
4-(3-bromo-4-fluorophenoxy)piperidine
CID 83235035
[3-(3-fluorobenzenecarboximidoyl)-4-(hydroxyamino)phenyl]methanol
CID 142179153
2-cyclobutyl-N-(3-fluorophenyl)-4-piperidin-4-yloxybenzenesulfonamide
CID 90220398
1-fluoro-3-(4-methylcyclohexyl)oxybenzene
CID 64764366
CID 59418392
CID 59418392
4-(3,4-difluorophenoxy)azepane
CID 63904830
N'-diazenyl-4-piperidin-4-yloxybenzenecarboximidamide
CID 174013338
[4-amino-2-(3-fluorobenzenecarboximidoyl)-3-methoxyanilino]thallium
CID 142179068
methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688
4-(3-fluorophenoxy)piperidine-2-carboxylic acid
CID 115043003

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline?
The IUPAC name of 2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline (CID 177143229) is 2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline.
What is the SMILES notation for 2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline?
The canonical SMILES for 2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline is [H]/N=C(\c1cccc(F)c1)c1ccc(OC2CCNCC2)cc1NC.
What is the InChIKey of 2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline?
The InChIKey is LFJCFMRWWBFHAT-XUTLUUPISA-N. The full InChI is InChI=1S/C19H22FN3O/c1-22-18-12-16(24-15-7-9-23-10-8-15)5-6-17(18)19(21)13-3-2-4-14(20)11-13/h2-6,11-12,15,21-23H,7-10H2,1H3/b21-19+.
What are the key properties of 2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline?
2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline has a molecular weight of 327.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorobenzenecarboximidoyl)-N-methyl-5-piperidin-4-yloxyaniline is sourced from PubChem (CID 177143229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).