[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone

C15H20FNO — CID 103820381

IUPAC[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C15H20FNO/c1-10-9-13(16)7-8-14(10)15(18)17-11(2)5-4-6-12(17)3/h7-9,11-12H,4-6H2,1-3H3/t11-,12+
InChIKeyMMRSFRXNXAUJBN-TXEJJXNPSA-N
MW249.33 g/mol
LogP3.54
Rot. Bonds1

About [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone (PubChem CID 103820381) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
PubChem CID103820381
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone
SMILESCc1cc(F)ccc1C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C15H20FNO/c1-10-9-13(16)7-8-14(10)15(18)17-11(2)5-4-6-12(17)3/h7-9,11-12H,4-6H2,1-3H3/t11-,12+
InChIKeyMMRSFRXNXAUJBN-TXEJJXNPSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone (CID 103820381) is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone is Cc1cc(F)ccc1C(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
The InChIKey is MMRSFRXNXAUJBN-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10-9-13(16)7-8-14(10)15(18)17-11(2)5-4-6-12(17)3/h7-9,11-12H,4-6H2,1-3H3/t11-,12+.
What are the key properties of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone?
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone has a molecular weight of 249.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(4-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 103820381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).