methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate

C15H18F3NO3 — CID 130187262

IUPACmethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(C(F)(F)F)ccc2OC)CC1
InChIInChI=1S/C15H18F3NO3/c1-21-13-4-3-11(15(16,17)18)9-12(13)19-7-5-10(6-8-19)14(20)22-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOICBRCZMFNPFFS-UHFFFAOYSA-N
MW317.31 g/mol
LogP3.10
Rot. Bonds3

About methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate

methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate (PubChem CID 130187262) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
PubChem CID130187262
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Namemethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2cc(C(F)(F)F)ccc2OC)CC1
InChIInChI=1S/C15H18F3NO3/c1-21-13-4-3-11(15(16,17)18)9-12(13)19-7-5-10(6-8-19)14(20)22-2/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOICBRCZMFNPFFS-UHFFFAOYSA-N
XLogP3.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187320
methyl 1-[2-[2-(methoxymethyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130195726
tert-butyl 1-[2-[(Z)-3-methoxy-3-oxoprop-1-enyl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 118551044
methyl (3R)-5-oxo-1-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate
CID 94068657
CID 149240889
CID 149240889
methyl 1-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 50879666
3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole
CID 140907731
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
methyl 1-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143163523
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
N-(5-chloro-2-methoxyphenyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26582381
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate (CID 130187262) is methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate is COC(=O)C1CCN(c2cc(C(F)(F)F)ccc2OC)CC1.
What is the InChIKey of methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
The InChIKey is OICBRCZMFNPFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-21-13-4-3-11(15(16,17)18)9-12(13)19-7-5-10(6-8-19)14(20)22-2/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate?
methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate has a molecular weight of 317.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate is sourced from PubChem (CID 130187262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).