(3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine

C20H21F4NO — CID 52917913

IUPAC(3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine
SMILESFc1ccc([C@@H]2CCNC[C@H]2COCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F4NO/c21-18-6-4-15(5-7-18)19-8-9-25-11-16(19)13-26-12-14-2-1-3-17(10-14)20(22,23)24/h1-7,10,16,19,25H,8-9,11-13H2/t16-,19-/m0/s1
InChIKeyJTIDCEATHZAGPZ-LPHOPBHVSA-N
MW367.39 g/mol
LogP4.75
Rot. Bonds5

About (3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine

(3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine (PubChem CID 52917913) has the molecular formula C20H21F4NO and a molecular weight of 367.39 g/mol. Its IUPAC name is (3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine.

Molecular Properties

Compound Name(3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine
PubChem CID52917913
Molecular FormulaC20H21F4NO
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name(3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine
SMILESFc1ccc([C@@H]2CCNC[C@H]2COCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H21F4NO/c21-18-6-4-15(5-7-18)19-8-9-25-11-16(19)13-26-12-14-2-1-3-17(10-14)20(22,23)24/h1-7,10,16,19,25H,8-9,11-13H2/t16-,19-/m0/s1
InChIKeyJTIDCEATHZAGPZ-LPHOPBHVSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 52917329
(3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride
CID 67638594
N-[[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]methyl]-1-[(4R)-4-(4-fluorophenyl)piperidin-3-yl]methanamine
CID 70804049
3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 19832107
(3S,4R)-3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67842104
3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(2-fluorophenyl)pyrrolidine
CID 73320138
3-propyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 79320434
4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine
CID 53405948
2-[(3R,4S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-(4-fluorophenyl)piperidin-1-yl]acetonitrile
CID 24752606
(3S)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]bicyclo[2.2.1]heptan-1-amine
CID 71137466
[4-(4-fluorophenyl)piperidin-3-yl]methanamine
CID 82611721
3-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine
CID 116996854

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The IUPAC name of (3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine (CID 52917913) is (3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine.
What is the SMILES notation for (3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The canonical SMILES for (3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine is Fc1ccc([C@@H]2CCNC[C@H]2COCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
The InChIKey is JTIDCEATHZAGPZ-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H21F4NO/c21-18-6-4-15(5-7-18)19-8-9-25-11-16(19)13-26-12-14-2-1-3-17(10-14)20(22,23)24/h1-7,10,16,19,25H,8-9,11-13H2/t16-,19-/m0/s1.
What are the key properties of (3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine?
(3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine has a molecular weight of 367.39 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine is sourced from PubChem (CID 52917913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).