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

C15H20F3NO — CID 103960219

IUPAC(1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H20F3NO/c1-2-14(20)12-7-3-4-8-13(12)19-9-5-6-11(10-19)15(16,17)18/h3-4,7-8,11,14,20H,2,5-6,9-10H2,1H3/t11?,14-/m0/s1
InChIKeyFARWHJOJXLINFW-IAXJKZSUSA-N
MW287.32 g/mol
LogP3.91
Rot. Bonds3

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

(1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol (PubChem CID 103960219) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is (1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol
PubChem CID103960219
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H20F3NO/c1-2-14(20)12-7-3-4-8-13(12)19-9-5-6-11(10-19)15(16,17)18/h3-4,7-8,11,14,20H,2,5-6,9-10H2,1H3/t11?,14-/m0/s1
InChIKeyFARWHJOJXLINFW-IAXJKZSUSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761
1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678826
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 113359067
(1S)-1-[2-fluoro-6-[3-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
CID 79009309
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
(1S)-1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]propan-1-ol
CID 103960120
2-[2-(1-hydroxypropyl)phenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 115996043

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol (CID 103960219) is (1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol is CC[C@H](O)c1ccccc1N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol?
The InChIKey is FARWHJOJXLINFW-IAXJKZSUSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-2-14(20)12-7-3-4-8-13(12)19-9-5-6-11(10-19)15(16,17)18/h3-4,7-8,11,14,20H,2,5-6,9-10H2,1H3/t11?,14-/m0/s1.
What are the key properties of (1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol?
(1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol has a molecular weight of 287.32 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[3-(trifluoromethyl)piperidin-1-yl]phenyl]propan-1-ol is sourced from PubChem (CID 103960219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).