1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine

C14H16Cl2F3N — CID 130192109

IUPAC1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine
SMILESCC1CCN(C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1
InChIInChI=1S/C14H16Cl2F3N/c1-9-2-4-20(5-3-9)13(14(17,18)19)10-6-11(15)8-12(16)7-10/h6-9,13H,2-5H2,1H3
InChIKeyWBNBEUKRYIWSIH-UHFFFAOYSA-N
MW326.19 g/mol
LogP5.33
Rot. Bonds2

About 1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine

1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine (PubChem CID 130192109) has the molecular formula C14H16Cl2F3N and a molecular weight of 326.19 g/mol. Its IUPAC name is 1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine
PubChem CID130192109
Molecular FormulaC14H16Cl2F3N
Molecular Weight326.19 g/mol
Exact Mass325.06
IUPAC Name1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine
SMILESCC1CCN(C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1
InChIInChI=1S/C14H16Cl2F3N/c1-9-2-4-20(5-3-9)13(14(17,18)19)10-6-11(15)8-12(16)7-10/h6-9,13H,2-5H2,1H3
InChIKeyWBNBEUKRYIWSIH-UHFFFAOYSA-N
XLogP5.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.19
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine?
The IUPAC name of 1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine (CID 130192109) is 1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine is CC1CCN(C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine?
The InChIKey is WBNBEUKRYIWSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2F3N/c1-9-2-4-20(5-3-9)13(14(17,18)19)10-6-11(15)8-12(16)7-10/h6-9,13H,2-5H2,1H3.
What are the key properties of 1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine?
1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine has a molecular weight of 326.19 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dichlorophenyl)-2,2,2-trifluoroethyl]-4-methylpiperidine is sourced from PubChem (CID 130192109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).