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

C11H22F3N3O — CID 83992721

IUPAC2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESNCCN1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C11H22F3N3O/c12-11(13,14)8-16-10-5-9(1-4-18)6-17(7-10)3-2-15/h9-10,16,18H,1-8,15H2
InChIKeyLGZKGDCLGRCJIT-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.17
Rot. Bonds6

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

2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (PubChem CID 83992721) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
PubChem CID83992721
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
SMILESNCCN1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C11H22F3N3O/c12-11(13,14)8-16-10-5-9(1-4-18)6-17(7-10)3-2-15/h9-10,16,18H,1-8,15H2
InChIKeyLGZKGDCLGRCJIT-UHFFFAOYSA-N
XLogP0.17
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992175
3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
2-[1-(2-methylcyclobutyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992518
1-(2-aminoethyl)-N-ethyl-5-propylpiperidin-3-amine
CID 83990747
N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide
CID 83992738
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
1-butyl-5-ethyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992169
methyl N-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543603
3-[1-(2-aminoethyl)-5-(cyclobutylmethylamino)piperidin-3-yl]propanoic acid
CID 83997568
1-(2-aminoethyl)-N-cyclohexyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83999651
1-(cyclopropylmethyl)-5-propyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992525
2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol
CID 83995501

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol (CID 83992721) is 2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is NCCN1CC(CCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
The InChIKey is LGZKGDCLGRCJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c12-11(13,14)8-16-10-5-9(1-4-18)6-17(7-10)3-2-15/h9-10,16,18H,1-8,15H2.
What are the key properties of 2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol?
2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol has a molecular weight of 269.31 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83992721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).