2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one

C15H21FN2O — CID 43083632

IUPAC2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(NC(C)C(=O)N2CCCCC2)cc1F
InChIInChI=1S/C15H21FN2O/c1-11-6-7-13(10-14(11)16)17-12(2)15(19)18-8-4-3-5-9-18/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyFHJHCTIXVDCTLF-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.95
Rot. Bonds3

About 2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one

2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 43083632) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID43083632
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(NC(C)C(=O)N2CCCCC2)cc1F
InChIInChI=1S/C15H21FN2O/c1-11-6-7-13(10-14(11)16)17-12(2)15(19)18-8-4-3-5-9-18/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyFHJHCTIXVDCTLF-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
5-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-fluorobenzonitrile
CID 62316286
2-(4-bromo-3-methylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083553
2-(4-methyl-3-nitroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 115571718
2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
CID 43088919
N,N,2-trimethyl-5-[[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]benzenesulfonamide
CID 41192764
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
1-(azepan-1-yl)-2-(2-fluoroanilino)propan-1-one
CID 43086908
2-(4-acetylanilino)-1-piperidin-1-ylpropan-1-one
CID 115571713
1-pyrrolidin-1-yl-2-(2,4,5-trifluoroanilino)propan-1-one
CID 62815898
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one (CID 43083632) is 2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one is Cc1ccc(NC(C)C(=O)N2CCCCC2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is FHJHCTIXVDCTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11-6-7-13(10-14(11)16)17-12(2)15(19)18-8-4-3-5-9-18/h6-7,10,12,17H,3-5,8-9H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one?
2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 264.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43083632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).