bis[4-(trifluoromethyl)piperidin-1-yl]methanone

C13H18F6N2O — CID 140517086

IUPACbis[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(C(F)(F)F)CC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H18F6N2O/c14-12(15,16)9-1-5-20(6-2-9)11(22)21-7-3-10(4-8-21)13(17,18)19/h9-10H,1-8H2
InChIKeyUVGBAPQLEBXMOR-UHFFFAOYSA-N
MW332.29 g/mol
LogP3.65
Rot. Bonds

About bis[4-(trifluoromethyl)piperidin-1-yl]methanone

bis[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 140517086) has the molecular formula C13H18F6N2O and a molecular weight of 332.29 g/mol. Its IUPAC name is bis[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namebis[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID140517086
Molecular FormulaC13H18F6N2O
Molecular Weight332.29 g/mol
Exact Mass332.13
IUPAC Namebis[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC(C(F)(F)F)CC1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H18F6N2O/c14-12(15,16)9-1-5-20(6-2-9)11(22)21-7-3-10(4-8-21)13(17,18)19/h9-10H,1-8H2
InChIKeyUVGBAPQLEBXMOR-UHFFFAOYSA-N
XLogP3.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of bis[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 140517086) is bis[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for bis[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for bis[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(N1CCC(C(F)(F)F)CC1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of bis[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is UVGBAPQLEBXMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6N2O/c14-12(15,16)9-1-5-20(6-2-9)11(22)21-7-3-10(4-8-21)13(17,18)19/h9-10H,1-8H2.
What are the key properties of bis[4-(trifluoromethyl)piperidin-1-yl]methanone?
bis[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 332.29 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 140517086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).