2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one

C16H23FN2O — CID 3229594

IUPAC2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-12-7-9-19(10-8-12)16(20)13(2)18-11-14-3-5-15(17)6-4-14/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyZTKSEOTWGRYXOD-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.56
Rot. Bonds4

About 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one

2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 3229594) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID3229594
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)C(C)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O/c1-12-7-9-19(10-8-12)16(20)13(2)18-11-14-3-5-15(17)6-4-14/h3-6,12-13,18H,7-11H2,1-2H3
InChIKeyZTKSEOTWGRYXOD-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 3229594) is 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)C(C)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is ZTKSEOTWGRYXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12-7-9-19(10-8-12)16(20)13(2)18-11-14-3-5-15(17)6-4-14/h3-6,12-13,18H,7-11H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one?
2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 278.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 3229594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).