1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol

C9H15F4NO — CID 151699939

IUPAC1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol
SMILESCCN1CCC(F)(C(O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F4NO/c1-2-14-5-3-8(10,4-6-14)7(15)9(11,12)13/h7,15H,2-6H2,1H3
InChIKeyREJGJIZHRMXZQI-UHFFFAOYSA-N
MW229.22 g/mol
LogP1.73
Rot. Bonds2

About 1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol

1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol (PubChem CID 151699939) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is 1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol
PubChem CID151699939
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC Name1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol
SMILESCCN1CCC(F)(C(O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F4NO/c1-2-14-5-3-8(10,4-6-14)7(15)9(11,12)13/h7,15H,2-6H2,1H3
InChIKeyREJGJIZHRMXZQI-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-fluoro-4-propan-2-ylpiperidine
CID 163258367
4-(1,1-difluoroethyl)-1-ethylpiperidin-4-ol
CID 175639257
1-ethyl-4-fluoro-4-iodopiperidine
CID 147786451
2,2,2-trifluoro-1-(4-fluoro-1-phenylmethoxypiperidin-4-yl)ethanol
CID 67403133
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
CID 90079651
1-(4-amino-1-ethylpiperidin-4-yl)propan-2-ol
CID 155709822
1-ethyl-5,5-difluoroazocane
CID 162614940
1-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2,2,2-trifluoroethanone
CID 91172286
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
1-ethyl-4,4-difluoropiperidin-3-ol
CID 130634849
1-ethyl-4-[(1-fluorocyclopropyl)methyl]piperazine
CID 130668663

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol (CID 151699939) is 1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol is CCN1CCC(F)(C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol?
The InChIKey is REJGJIZHRMXZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c1-2-14-5-3-8(10,4-6-14)7(15)9(11,12)13/h7,15H,2-6H2,1H3.
What are the key properties of 1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol?
1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol has a molecular weight of 229.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-fluoropiperidin-4-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 151699939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).