1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol

C15H20F3NO3 — CID 138381001

IUPAC1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F3NO3/c16-15(17,18)22-13-3-1-2-11(8-13)9-19-6-4-12(5-7-19)14(21)10-20/h1-3,8,12,14,20-21H,4-7,9-10H2
InChIKeyDLXZDETVPZUCGA-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.15
Rot. Bonds5

About 1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol

1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol (PubChem CID 138381001) has the molecular formula C15H20F3NO3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
PubChem CID138381001
Molecular FormulaC15H20F3NO3
Molecular Weight319.32 g/mol
Exact Mass319.14
IUPAC Name1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
SMILESOCC(O)C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H20F3NO3/c16-15(17,18)22-13-3-1-2-11(8-13)9-19-6-4-12(5-7-19)14(21)10-20/h1-3,8,12,14,20-21H,4-7,9-10H2
InChIKeyDLXZDETVPZUCGA-UHFFFAOYSA-N
XLogP2.15
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 174928959
CID 174928959
1-[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanol
CID 111113680
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea
CID 75439246
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
methylamino-[3-oxo-1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propyl]carbamic acid
CID 87460734
phenyl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 55625829
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 99850234
1-(1-benzylpiperidin-4-yl)-2-phenoxyethanol
CID 59280139
1-(thiophen-3-ylmethyl)-4-[[3-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 74229094
2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 97160311
(1R)-1-cyclopropyl-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]ethanol
CID 97038981

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol (CID 138381001) is 1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol is OCC(O)C1CCN(Cc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
The InChIKey is DLXZDETVPZUCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO3/c16-15(17,18)22-13-3-1-2-11(8-13)9-19-6-4-12(5-7-19)14(21)10-20/h1-3,8,12,14,20-21H,4-7,9-10H2.
What are the key properties of 1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol has a molecular weight of 319.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 138381001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).