1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine

C13H15ClF3NO2 — CID 142618246

IUPAC1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine
SMILESCOC1CCN(c2cc(OC(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C13H15ClF3NO2/c1-19-9-4-6-18(7-5-9)12-8-10(2-3-11(12)14)20-13(15,16)17/h2-3,8-9H,4-7H2,1H3
InChIKeyUBNGTWMTFZQCSW-UHFFFAOYSA-N
MW309.72 g/mol
LogP3.85
Rot. Bonds3

About 1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine

1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine (PubChem CID 142618246) has the molecular formula C13H15ClF3NO2 and a molecular weight of 309.72 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine
PubChem CID142618246
Molecular FormulaC13H15ClF3NO2
Molecular Weight309.72 g/mol
Exact Mass309.07
IUPAC Name1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine
SMILESCOC1CCN(c2cc(OC(F)(F)F)ccc2Cl)CC1
InChIInChI=1S/C13H15ClF3NO2/c1-19-9-4-6-18(7-5-9)12-8-10(2-3-11(12)14)20-13(15,16)17/h2-3,8-9H,4-7H2,1H3
InChIKeyUBNGTWMTFZQCSW-UHFFFAOYSA-N
XLogP3.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine?
The IUPAC name of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine (CID 142618246) is 1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine is COC1CCN(c2cc(OC(F)(F)F)ccc2Cl)CC1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine?
The InChIKey is UBNGTWMTFZQCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO2/c1-19-9-4-6-18(7-5-9)12-8-10(2-3-11(12)14)20-13(15,16)17/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine?
1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine has a molecular weight of 309.72 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethoxy)phenyl]-4-methoxypiperidine is sourced from PubChem (CID 142618246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).