1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione

C13H15FN2O2 — CID 43382586

IUPAC1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione
SMILESNCc1ccc(CN2C(=O)CCCC2=O)c(F)c1
InChIInChI=1S/C13H15FN2O2/c14-11-6-9(7-15)4-5-10(11)8-16-12(17)2-1-3-13(16)18/h4-6H,1-3,7-8,15H2
InChIKeyLKOPPNAMJSMUQC-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.32
Rot. Bonds3

About 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione

1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione (PubChem CID 43382586) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione
PubChem CID43382586
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione
SMILESNCc1ccc(CN2C(=O)CCCC2=O)c(F)c1
InChIInChI=1S/C13H15FN2O2/c14-11-6-9(7-15)4-5-10(11)8-16-12(17)2-1-3-13(16)18/h4-6H,1-3,7-8,15H2
InChIKeyLKOPPNAMJSMUQC-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione?
The IUPAC name of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione (CID 43382586) is 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione is NCc1ccc(CN2C(=O)CCCC2=O)c(F)c1.
What is the InChIKey of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione?
The InChIKey is LKOPPNAMJSMUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c14-11-6-9(7-15)4-5-10(11)8-16-12(17)2-1-3-13(16)18/h4-6H,1-3,7-8,15H2.
What are the key properties of 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione?
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione has a molecular weight of 250.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 43382586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).