1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

C16H23FN2O — CID 43434840

IUPAC1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NCc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O/c1-12(2)16(20)19-8-6-15(7-9-19)18-11-13-4-3-5-14(17)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3
InChIKeyRMHUENWXSLWGDY-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.56
Rot. Bonds4

About 1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 43434840) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID43434840
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(NCc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O/c1-12(2)16(20)19-8-6-15(7-9-19)18-11-13-4-3-5-14(17)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3
InChIKeyRMHUENWXSLWGDY-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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Related Compounds

2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
4-[(3-fluorophenyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83201814
1-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434832
1-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 103948101
1-[4-[(5-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 115761707
1-[4-[1-(3-fluorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747833
2-methyl-1-[4-[(4-methylsulfanylphenyl)methylamino]piperidin-1-yl]propan-1-one
CID 43434835
1-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434834
N-[2-(3-fluorophenyl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32796393
1-[4-(furan-3-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 63000805
1-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-3-[1-(2-methylpropanoyl)piperidin-4-yl]urea
CID 52532707
4-[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methyl]benzonitrile
CID 43747785

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one (CID 43434840) is 1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(NCc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is RMHUENWXSLWGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(2)16(20)19-8-6-15(7-9-19)18-11-13-4-3-5-14(17)10-13/h3-5,10,12,15,18H,6-9,11H2,1-2H3.
What are the key properties of 1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-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 1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 43434840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).