2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

C11H21F3N2O — CID 83992105

IUPAC2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCN1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-2-16-6-9(3-4-17)5-10(7-16)15-8-11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyKVJVWYYOAXHNRM-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds5

About 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol

2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992105) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992105
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESCCN1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-2-16-6-9(3-4-17)5-10(7-16)15-8-11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyKVJVWYYOAXHNRM-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2,2,2-Trifluoroethyl)piperazin-2-yl]propan-1-ol
CID 69976541
1-(Methylamino)-2-(methylaminomethyl)-3-[[1-methyl-2-(methylaminomethyl)-6-(trifluoromethyl)piperidin-3-yl]methoxy]propan-1-ol
CID 71201763
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-4-yl]methanol
CID 43752693
[1-(3-Amino-1,1,1-trifluoropropan-2-yl)piperidin-3-yl]methanol
CID 43752760
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-3-yl]methanol
CID 61647651
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-3-yl]methanol
CID 61647652
[1-(3-Amino-1,1,1-trifluorobutan-2-yl)piperidin-4-yl]methanol
CID 61648235
[1-(3-Amino-1,1,1-trifluoropentan-2-yl)piperidin-4-yl]methanol
CID 61648236
3-(Methylamino)-4-[4-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65533676
3-(Ethylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65534461
3-(Methylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65534647
3-(Propylamino)-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-ol
CID 65535228

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992105) is 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is CCN1CC(CCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is KVJVWYYOAXHNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-16-6-9(3-4-17)5-10(7-16)15-8-11(12,13)14/h9-10,15,17H,2-8H2,1H3.
What are the key properties of 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 254.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).