3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine

C15H19F4NO — CID 170587779

IUPAC3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1ccc(CN2CCCC(F)C2)c(C(F)(F)F)c1C
InChIInChI=1S/C15H19F4NO/c1-10-13(21-2)6-5-11(14(10)15(17,18)19)8-20-7-3-4-12(16)9-20/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyMZRGJQVKOQBJMN-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.96
Rot. Bonds3

About 3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine

3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 170587779) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID170587779
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine
SMILESCOc1ccc(CN2CCCC(F)C2)c(C(F)(F)F)c1C
InChIInChI=1S/C15H19F4NO/c1-10-13(21-2)6-5-11(14(10)15(17,18)19)8-20-7-3-4-12(16)9-20/h5-6,12H,3-4,7-9H2,1-2H3
InChIKeyMZRGJQVKOQBJMN-UHFFFAOYSA-N
XLogP3.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
CID 26458710
(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
CID 26458149
1-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-phenylpiperidin-3-amine
CID 45174653
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 60670302
4-ethyl-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 56741932
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
1-[(4-amino-2-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 107208478
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-6-methoxyphenol
CID 82983581
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine (CID 170587779) is 3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine is COc1ccc(CN2CCCC(F)C2)c(C(F)(F)F)c1C.
What is the InChIKey of 3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is MZRGJQVKOQBJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-10-13(21-2)6-5-11(14(10)15(17,18)19)8-20-7-3-4-12(16)9-20/h5-6,12H,3-4,7-9H2,1-2H3.
What are the key properties of 3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine?
3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 305.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[[4-methoxy-3-methyl-2-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 170587779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).