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

C19H21F2N3 — CID 13431728

IUPACN-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1F)c1cc(F)ccc1NC1CCN(C)CC1
InChIInChI=1S/C19H21F2N3/c1-24-10-8-14(9-11-24)23-18-7-6-13(20)12-16(18)19(22)15-4-2-3-5-17(15)21/h2-7,12,14,22-23H,8-11H2,1H3/b22-19+
InChIKeyQVVVIEAETISIHD-ZBJSNUHESA-N
MW329.39 g/mol
LogP3.89
Rot. Bonds4

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

N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine (PubChem CID 13431728) has the molecular formula C19H21F2N3 and a molecular weight of 329.39 g/mol. Its IUPAC name is N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine
PubChem CID13431728
Molecular FormulaC19H21F2N3
Molecular Weight329.39 g/mol
Exact Mass329.17
IUPAC NameN-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine
SMILES[H]/N=C(\c1ccccc1F)c1cc(F)ccc1NC1CCN(C)CC1
InChIInChI=1S/C19H21F2N3/c1-24-10-8-14(9-11-24)23-18-7-6-13(20)12-16(18)19(22)15-4-2-3-5-17(15)21/h2-7,12,14,22-23H,8-11H2,1H3/b22-19+
InChIKeyQVVVIEAETISIHD-ZBJSNUHESA-N
XLogP3.89
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Phenyl-1-(phenylmethyl)-4-piperidinamine
CID 70865
Benzenamine, 4,4'-carbonimidoylbis(N,N-diethyl-, hydrochloride (1:1)
CID 80679
Metapramine
CID 65700
Despropionyl meta-fluorofentanyl
CID 23741730
N-phenyl-1-(2-phenylethyl)-4-piperidinamine
CID 88890
5-Phenyl-1-(piperidin-4-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
CID 13336285
2-[(1-Benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile
CID 2804378
Monometacrine
CID 145765
2-Butyl-1-methyl-3-propyl-1H-quinolin-4-ylideneamine
CID 9549410
1-benzyl-N-(2-fluorophenyl)piperidin-4-amine
CID 867403
1-(2-Diphenyl)piperazine
CID 2737389
trans-8-Fluoro-5-(p-fluorophenyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 13014387

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine (CID 13431728) is N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine is [H]/N=C(\c1ccccc1F)c1cc(F)ccc1NC1CCN(C)CC1.
What is the InChIKey of N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
The InChIKey is QVVVIEAETISIHD-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H21F2N3/c1-24-10-8-14(9-11-24)23-18-7-6-13(20)12-16(18)19(22)15-4-2-3-5-17(15)21/h2-7,12,14,22-23H,8-11H2,1H3/b22-19+.
What are the key properties of N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine?
N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine has a molecular weight of 329.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(2-fluorobenzenecarboximidoyl)phenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 13431728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).