1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone

C14H17F2NO — CID 107514868

IUPAC1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone
SMILESCc1ccc(C(=O)CC2CCCNC2)c(F)c1F
InChIInChI=1S/C14H17F2NO/c1-9-4-5-11(14(16)13(9)15)12(18)7-10-3-2-6-17-8-10/h4-5,10,17H,2-3,6-8H2,1H3
InChIKeyIBLLDHUKPOBZCT-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.85
Rot. Bonds3

About 1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone

1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone (PubChem CID 107514868) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone
PubChem CID107514868
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone
SMILESCc1ccc(C(=O)CC2CCCNC2)c(F)c1F
InChIInChI=1S/C14H17F2NO/c1-9-4-5-11(14(16)13(9)15)12(18)7-10-3-2-6-17-8-10/h4-5,10,17H,2-3,6-8H2,1H3
InChIKeyIBLLDHUKPOBZCT-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-2-piperidin-3-ylethanone
CID 116564167
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone
CID 116917204
1-(4-fluoro-2-methylphenyl)-2-pyrrolidin-3-ylethanone
CID 116583575
1-(2,6-difluoro-3-methylphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562387
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone
CID 105497823
1-(2,3-difluoro-4-methylphenyl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 107515011
2-(cyclopropylmethylamino)-1-(2,3-difluoro-4-methylphenyl)ethanone
CID 107514850
methyl 2,3-difluoro-4-(2-piperidin-3-ylethylamino)benzoate
CID 79835276
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone (CID 107514868) is 1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone is Cc1ccc(C(=O)CC2CCCNC2)c(F)c1F.
What is the InChIKey of 1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone?
The InChIKey is IBLLDHUKPOBZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-9-4-5-11(14(16)13(9)15)12(18)7-10-3-2-6-17-8-10/h4-5,10,17H,2-3,6-8H2,1H3.
What are the key properties of 1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone?
1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone has a molecular weight of 253.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone is sourced from PubChem (CID 107514868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).