1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol

C13H25F3N2O — CID 110016856

IUPAC1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol
SMILESCCN(CC)CCN1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-3-17(4-2)9-10-18-7-5-11(6-8-18)12(19)13(14,15)16/h11-12,19H,3-10H2,1-2H3
InChIKeySKKBJYOGCYODFX-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.96
Rot. Bonds6

About 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol

1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol (PubChem CID 110016856) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol
PubChem CID110016856
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol
SMILESCCN(CC)CCN1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-3-17(4-2)9-10-18-7-5-11(6-8-18)12(19)13(14,15)16/h11-12,19H,3-10H2,1-2H3
InChIKeySKKBJYOGCYODFX-UHFFFAOYSA-N
XLogP1.96
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Ethylpiperidin-4-yl)ethan-1-ol
CID 588327
1-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 13266403
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanol
CID 52274441
(1S)-1-(1,1-dimethylpiperidin-1-ium-4-yl)ethanol
CID 44368116
2,2,2-Trifluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 60046634
[1-(2,2-Difluoroethyl)piperidin-4-yl]methanol
CID 62020075
[1-(3,3,3-Trifluoropropyl)piperidin-4-yl]methanol
CID 64567594
2,2,2-Trifluoro-1-(1-methylpiperidin-4-yl)ethan-1-ol
CID 67400457
1-(1-Ethylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 89584678
4-(2,2,2-Trifluoro-1-hydroxyethyl)piperidine-1-carbonitrile
CID 90449158
[1-(2-Fluoro-2-methylpropyl)piperidin-4-yl]methanol
CID 91757628
2,2,2-Trifluoro-1-(1-propylpiperidin-4-yl)ethanol
CID 112326754

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol (CID 110016856) is 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol is CCN(CC)CCN1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol?
The InChIKey is SKKBJYOGCYODFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-3-17(4-2)9-10-18-7-5-11(6-8-18)12(19)13(14,15)16/h11-12,19H,3-10H2,1-2H3.
What are the key properties of 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol?
1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol has a molecular weight of 282.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 110016856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).