1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol

C16H22F3NO3 — CID 111510943

IUPAC1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H22F3NO3/c1-12(21)13-6-8-20(9-7-13)10-11-22-14-2-4-15(5-3-14)23-16(17,18)19/h2-5,12-13,21H,6-11H2,1H3
InChIKeyGKFQKCLFTSZWQG-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.06
Rot. Bonds6

About 1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol

1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol (PubChem CID 111510943) has the molecular formula C16H22F3NO3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol
PubChem CID111510943
Molecular FormulaC16H22F3NO3
Molecular Weight333.35 g/mol
Exact Mass333.16
IUPAC Name1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H22F3NO3/c1-12(21)13-6-8-20(9-7-13)10-11-22-14-2-4-15(5-3-14)23-16(17,18)19/h2-5,12-13,21H,6-11H2,1H3
InChIKeyGKFQKCLFTSZWQG-UHFFFAOYSA-N
XLogP3.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-[3-[4-(trifluoromethoxy)phenoxy]pyrrolidin-1-yl]ethoxy]phenyl]methanol
CID 145415565
1-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]ethanol
CID 103658614
1-[2-[4-(hydroxymethyl)phenoxy]ethyl]pyrrolidin-3-ol;trifluoromethoxybenzene
CID 145415282
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 110019704
1-[2-(4-fluorophenoxy)ethyl]-4-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine
CID 67298811
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406
(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 99639116
4-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethoxy]-3-methoxybenzonitrile
CID 111448281
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]methanol
CID 60768510
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119
1-[1-[2-(2-hydroxyethoxy)ethyl]piperidin-4-yl]ethanol
CID 103684371

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol (CID 111510943) is 1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol is CC(O)C1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol?
The InChIKey is GKFQKCLFTSZWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO3/c1-12(21)13-6-8-20(9-7-13)10-11-22-14-2-4-15(5-3-14)23-16(17,18)19/h2-5,12-13,21H,6-11H2,1H3.
What are the key properties of 1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol?
1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol has a molecular weight of 333.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 111510943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).