N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine

C15H24FN3 — CID 55004343

IUPACN-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2cc(F)ccc2N)CC1
InChIInChI=1S/C15H24FN3/c1-3-19-8-6-14(7-9-19)18(2)11-12-10-13(16)4-5-15(12)17/h4-5,10,14H,3,6-9,11,17H2,1-2H3
InChIKeyHQNJGGGPWBTTDI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.32
Rot. Bonds4

About N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine

N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 55004343) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID55004343
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)Cc2cc(F)ccc2N)CC1
InChIInChI=1S/C15H24FN3/c1-3-19-8-6-14(7-9-19)18(2)11-12-10-13(16)4-5-15(12)17/h4-5,10,14H,3,6-9,11,17H2,1-2H3
InChIKeyHQNJGGGPWBTTDI-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43382206
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol
CID 55004619
N-[(4-amino-2-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004493
5-fluoro-2-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 64768605
4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 107701864
N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520485
1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 106835532
2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 62375945
2-(4-ethylpiperazin-1-yl)-4-fluoroaniline
CID 62377784
2-N-(1-ethylpiperidin-4-yl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
CID 55086413
4-amino-N-(1-ethylpiperidin-4-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 82845259

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine (CID 55004343) is N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)Cc2cc(F)ccc2N)CC1.
What is the InChIKey of N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is HQNJGGGPWBTTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-3-19-8-6-14(7-9-19)18(2)11-12-10-13(16)4-5-15(12)17/h4-5,10,14H,3,6-9,11,17H2,1-2H3.
What are the key properties of N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 265.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 55004343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).