3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol

C15H21F3N2O — CID 43791625

IUPAC3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1cccc(O)c1
InChIInChI=1S/C15H21F3N2O/c1-11(12-3-2-4-14(21)9-12)19-13-5-7-20(8-6-13)10-15(16,17)18/h2-4,9,11,13,19,21H,5-8,10H2,1H3
InChIKeyGRWXHNMGDBRAHY-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.07
Rot. Bonds4

About 3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol

3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol (PubChem CID 43791625) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
PubChem CID43791625
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1cccc(O)c1
InChIInChI=1S/C15H21F3N2O/c1-11(12-3-2-4-14(21)9-12)19-13-5-7-20(8-6-13)10-15(16,17)18/h2-4,9,11,13,19,21H,5-8,10H2,1H3
InChIKeyGRWXHNMGDBRAHY-UHFFFAOYSA-N
XLogP3.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81369741
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
methyl 2-[4-[1-(3-hydroxyphenyl)ethylamino]piperidin-1-yl]acetate
CID 91648625
N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43766678
N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81403823
3-[1-(thian-4-ylamino)ethyl]phenol
CID 43748609
3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol
CID 43747474
N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769154
[3-[(1S)-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]ethyl]phenyl]methanol
CID 97336840
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol
CID 165429389
1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine
CID 81369214

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol (CID 43791625) is 3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol is CC(NC1CCN(CC(F)(F)F)CC1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol?
The InChIKey is GRWXHNMGDBRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(12-3-2-4-14(21)9-12)19-13-5-7-20(8-6-13)10-15(16,17)18/h2-4,9,11,13,19,21H,5-8,10H2,1H3.
What are the key properties of 3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol?
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol has a molecular weight of 302.34 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 43791625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).