4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine

C20H22F3NO — CID 54001513

IUPAC4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)c1cc(-c2ccccc2)ccc1COCC1CCNCC1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)19-12-17(16-4-2-1-3-5-16)6-7-18(19)14-25-13-15-8-10-24-11-9-15/h1-7,12,15,24H,8-11,13-14H2
InChIKeyKLYPCTUPWSSPNK-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.89
Rot. Bonds5

About 4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine

4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine (PubChem CID 54001513) has the molecular formula C20H22F3NO and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine.

Molecular Properties

Compound Name4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine
PubChem CID54001513
Molecular FormulaC20H22F3NO
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine
SMILESFC(F)(F)c1cc(-c2ccccc2)ccc1COCC1CCNCC1
InChIInChI=1S/C20H22F3NO/c21-20(22,23)19-12-17(16-4-2-1-3-5-16)6-7-18(19)14-25-13-15-8-10-24-11-9-15/h1-7,12,15,24H,8-11,13-14H2
InChIKeyKLYPCTUPWSSPNK-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(trifluoromethyl)phenyl]methoxymethyl]pyrrolidine
CID 115070735
(2S,3R,4R)-2-(hydroxymethyl)-1-[5-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxy]pentyl]piperidine-3,4-diol
CID 138510998
4-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831224
4-[(2-fluorophenyl)methoxymethyl]azepane
CID 115070870
ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene
CID 177219455
1-(cyclopropylmethoxymethyl)-4-phenylbenzene
CID 59259711
2-[3-fluoro-4-phenyl-5-(trifluoromethyl)phenyl]-2-(piperidin-4-ylmethoxy)ethanol
CID 67624352
N-[(1S,2R)-2-[4-phenyl-2-(trifluoromethyl)phenyl]cyclopropyl]piperidin-4-amine
CID 140765327
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine
CID 68829498
4-[(2-methoxy-5-methylphenyl)methoxymethyl]piperidine
CID 55060565
N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 119930125

Frequently Asked Questions

What is the IUPAC name of 4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The IUPAC name of 4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine (CID 54001513) is 4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine.
What is the SMILES notation for 4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The canonical SMILES for 4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine is FC(F)(F)c1cc(-c2ccccc2)ccc1COCC1CCNCC1.
What is the InChIKey of 4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The InChIKey is KLYPCTUPWSSPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO/c21-20(22,23)19-12-17(16-4-2-1-3-5-16)6-7-18(19)14-25-13-15-8-10-24-11-9-15/h1-7,12,15,24H,8-11,13-14H2.
What are the key properties of 4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine has a molecular weight of 349.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-phenyl-2-(trifluoromethyl)phenyl]methoxymethyl]piperidine is sourced from PubChem (CID 54001513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).