2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine

C14H18F3NO — CID 106778535

IUPAC2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine
SMILESCOc1cccc(CC2CCC(C(F)(F)F)CN2)c1
InChIInChI=1S/C14H18F3NO/c1-19-13-4-2-3-10(8-13)7-12-6-5-11(9-18-12)14(15,16)17/h2-4,8,11-12,18H,5-7,9H2,1H3
InChIKeyUULFUYSMGPXOKM-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.17
Rot. Bonds3

About 2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine

2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine (PubChem CID 106778535) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine
PubChem CID106778535
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine
SMILESCOc1cccc(CC2CCC(C(F)(F)F)CN2)c1
InChIInChI=1S/C14H18F3NO/c1-19-13-4-2-3-10(8-13)7-12-6-5-11(9-18-12)14(15,16)17/h2-4,8,11-12,18H,5-7,9H2,1H3
InChIKeyUULFUYSMGPXOKM-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dimethylphenyl)methyl]-5-(trifluoromethyl)piperidine
CID 106777874
2-(methoxymethyl)-4-[(3-methoxyphenyl)methyl]pyrrolidine
CID 117270683
3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydrofuro[3,4-b]pyrazine
CID 82377070
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
CID 71624271
6,7-dimethoxy-3-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20566245
2-[2-fluoro-1-(3-methoxyphenyl)propan-2-yl]pyrrolidine
CID 105499373
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
1-chloro-3-[(3-methoxyphenyl)methyl]cycloheptane
CID 64509318
(3S,4R)-4-[(3-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 125427341

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine (CID 106778535) is 2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine is COc1cccc(CC2CCC(C(F)(F)F)CN2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine?
The InChIKey is UULFUYSMGPXOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-19-13-4-2-3-10(8-13)7-12-6-5-11(9-18-12)14(15,16)17/h2-4,8,11-12,18H,5-7,9H2,1H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine?
2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine has a molecular weight of 273.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)piperidine is sourced from PubChem (CID 106778535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).