(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid

C15H17F4NO3 — CID 86614571

IUPAC(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCC1(C(=O)c2ccc(F)cc2)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16FNO.C2HF3O2/c1-13(6-8-15-9-7-13)12(16)10-2-4-11(14)5-3-10;3-2(4,5)1(6)7/h2-5,15H,6-9H2,1H3;(H,6,7)
InChIKeyPIUXKHSAWAPHGX-UHFFFAOYSA-N
MW335.30 g/mol
LogP3.03
Rot. Bonds2

About (4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid

(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 86614571) has the molecular formula C15H17F4NO3 and a molecular weight of 335.30 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID86614571
Molecular FormulaC15H17F4NO3
Molecular Weight335.30 g/mol
Exact Mass335.11
IUPAC Name(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCC1(C(=O)c2ccc(F)cc2)CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H16FNO.C2HF3O2/c1-13(6-8-15-9-7-13)12(16)10-2-4-11(14)5-3-10;3-2(4,5)1(6)7/h2-5,15H,6-9H2,1H3;(H,6,7)
InChIKeyPIUXKHSAWAPHGX-UHFFFAOYSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid (CID 86614571) is (4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid is CC1(C(=O)c2ccc(F)cc2)CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is PIUXKHSAWAPHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO.C2HF3O2/c1-13(6-8-15-9-7-13)12(16)10-2-4-11(14)5-3-10;3-2(4,5)1(6)7/h2-5,15H,6-9H2,1H3;(H,6,7).
What are the key properties of (4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid?
(4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 335.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-methylpiperidin-4-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86614571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).