(4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone

C13H15F2NO — CID 871541

IUPAC(4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1cc(F)c(F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C13H15F2NO/c1-9-7-11(14)12(15)8-10(9)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyPEKALMPAAJZXMN-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.90
Rot. Bonds1

About (4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone

(4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone (PubChem CID 871541) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone
PubChem CID871541
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1cc(F)c(F)cc1C(=O)N1CCCCC1
InChIInChI=1S/C13H15F2NO/c1-9-7-11(14)12(15)8-10(9)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3
InChIKeyPEKALMPAAJZXMN-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone (CID 871541) is (4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone is Cc1cc(F)c(F)cc1C(=O)N1CCCCC1.
What is the InChIKey of (4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone?
The InChIKey is PEKALMPAAJZXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c1-9-7-11(14)12(15)8-10(9)13(17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3.
What are the key properties of (4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone?
(4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone has a molecular weight of 239.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-difluoro-2-methylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 871541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).