(2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

C15H20F3NO — CID 137340003

IUPAC(2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESCC[C@H]1C[C@@H](O)CCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-2-13-9-14(20)7-8-19(13)10-11-3-5-12(6-4-11)15(16,17)18/h3-6,13-14,20H,2,7-10H2,1H3/t13-,14-/m0/s1
InChIKeyIPYNGSYOZOPWHM-KBPBESRZSA-N
MW287.32 g/mol
LogP3.44
Rot. Bonds3

About (2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

(2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 137340003) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID137340003
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESCC[C@H]1C[C@@H](O)CCN1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO/c1-2-13-9-14(20)7-8-19(13)10-11-3-5-12(6-4-11)15(16,17)18/h3-6,13-14,20H,2,7-10H2,1H3/t13-,14-/m0/s1
InChIKeyIPYNGSYOZOPWHM-KBPBESRZSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]propan-2-one
CID 79547050
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]methanamine
CID 80504637
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine
CID 91336363
(3aS,6aS)-4-[(1-methylimidazol-2-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;formic acid
CID 171321840
[4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methanol
CID 83794056
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 50999929
cyclopropane;2-[2-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetic acid
CID 143215802
(2R,4S)-1-[(4-propan-2-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 140522657
2-methylbutane;methyl 2-[2-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetate
CID 143215711
1-(4-hydroxypiperidin-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 111108326
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of (2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 137340003) is (2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for (2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for (2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is CC[C@H]1C[C@@H](O)CCN1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is IPYNGSYOZOPWHM-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-13-9-14(20)7-8-19(13)10-11-3-5-12(6-4-11)15(16,17)18/h3-6,13-14,20H,2,7-10H2,1H3/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
(2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 287.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 137340003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).