(1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol

C14H18F3NO — CID 2077827

IUPAC(1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol
SMILESO[C@H](CN1CCC[C@H](C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-7-4-8-18(9-12)10-13(19)11-5-2-1-3-6-11/h1-3,5-6,12-13,19H,4,7-10H2/t12-,13+/m0/s1
InChIKeyHMDFHKCUQNUSEN-QWHCGFSZSA-N
MW273.30 g/mol
LogP2.99
Rot. Bonds3

About (1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol

(1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol (PubChem CID 2077827) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol
PubChem CID2077827
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol
SMILESO[C@H](CN1CCC[C@H](C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-7-4-8-18(9-12)10-13(19)11-5-2-1-3-6-11/h1-3,5-6,12-13,19H,4,7-10H2/t12-,13+/m0/s1
InChIKeyHMDFHKCUQNUSEN-QWHCGFSZSA-N
XLogP2.99
TPSA23.47 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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 63771038
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
1-phenyl-2-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]ethanol
CID 110891512
N-[(1R)-1-[(3R)-1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-3-yl]ethyl]-N-phenylpropanamide
CID 10199807
[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 110883057
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
(1R)-1-phenyl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95333284
1-phenyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanol
CID 111436337
(1S)-1-(4-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanol
CID 100852909
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
CID 55094317

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol (CID 2077827) is (1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol is O[C@H](CN1CCC[C@H](C(F)(F)F)C1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol?
The InChIKey is HMDFHKCUQNUSEN-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12-7-4-8-18(9-12)10-13(19)11-5-2-1-3-6-11/h1-3,5-6,12-13,19H,4,7-10H2/t12-,13+/m0/s1.
What are the key properties of (1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol?
(1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol has a molecular weight of 273.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 2077827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).