1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone

C15H25F3N2O — CID 100740257

IUPAC1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC[C@H]1CCN(C(=O)CN2CCC(C(F)(F)F)CC2)[C@@H](C)C1
InChIInChI=1S/C15H25F3N2O/c1-11-3-8-20(12(2)9-11)14(21)10-19-6-4-13(5-7-19)15(16,17)18/h11-13H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyAMPCOGBWNFQYLT-RYUDHWBXSA-N
MW306.37 g/mol
LogP2.91
Rot. Bonds2

About 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone

1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 100740257) has the molecular formula C15H25F3N2O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID100740257
Molecular FormulaC15H25F3N2O
Molecular Weight306.37 g/mol
Exact Mass306.19
IUPAC Name1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC[C@H]1CCN(C(=O)CN2CCC(C(F)(F)F)CC2)[C@@H](C)C1
InChIInChI=1S/C15H25F3N2O/c1-11-3-8-20(12(2)9-11)14(21)10-19-6-4-13(5-7-19)15(16,17)18/h11-13H,3-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyAMPCOGBWNFQYLT-RYUDHWBXSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 100740257) is 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone is C[C@H]1CCN(C(=O)CN2CCC(C(F)(F)F)CC2)[C@@H](C)C1.
What is the InChIKey of 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is AMPCOGBWNFQYLT-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H25F3N2O/c1-11-3-8-20(12(2)9-11)14(21)10-19-6-4-13(5-7-19)15(16,17)18/h11-13H,3-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 306.37 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 100740257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).