3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one

C12H15FN2O — CID 83642502

IUPAC3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one
SMILESNCC1CCCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-14)12(15)16/h3-6,9H,1-2,7-8,14H2
InChIKeyLBZCURRTDYGJML-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.53
Rot. Bonds2

About 3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one

3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one (PubChem CID 83642502) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one
PubChem CID83642502
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one
SMILESNCC1CCCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-14)12(15)16/h3-6,9H,1-2,7-8,14H2
InChIKeyLBZCURRTDYGJML-UHFFFAOYSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one (CID 83642502) is 3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one is NCC1CCCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one?
The InChIKey is LBZCURRTDYGJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-14)12(15)16/h3-6,9H,1-2,7-8,14H2.
What are the key properties of 3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one?
3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one has a molecular weight of 222.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(4-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 83642502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).