1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid

C9H17F3N2O3 — CID 131724001

IUPAC1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESNCCN1CCC(O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2O.C2HF3O2/c8-3-6-9-4-1-7(10)2-5-9;3-2(4,5)1(6)7/h7,10H,1-6,8H2;(H,6,7)
InChIKeyOHIVDSKFOWOETE-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.04
Rot. Bonds2

About 1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid

1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid (PubChem CID 131724001) has the molecular formula C9H17F3N2O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
PubChem CID131724001
Molecular FormulaC9H17F3N2O3
Molecular Weight258.24 g/mol
Exact Mass258.12
IUPAC Name1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
SMILESNCCN1CCC(O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H16N2O.C2HF3O2/c8-3-6-9-4-1-7(10)2-5-9;3-2(4,5)1(6)7/h7,10H,1-6,8H2;(H,6,7)
InChIKeyOHIVDSKFOWOETE-UHFFFAOYSA-N
XLogP0.04
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-phenylazepan-1-yl)ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
CID 171321226
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
cyclopentanol;2,2,2-trifluoroacetic acid
CID 175723828
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
1-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174854597
1-(2-cyclopropylethyl)pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 174922919
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578
2-(4-hydroxypiperidin-1-yl)acetamide
CID 14799132
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride
CID 67523899
2-amino-6-borono-2-[2-(4-hydroxypiperidin-1-yl)ethyl]hexanoic acid;dihydrochloride
CID 66833071
1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 22254650
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid (CID 131724001) is 1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid is NCCN1CCC(O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
The InChIKey is OHIVDSKFOWOETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2HF3O2/c8-3-6-9-4-1-7(10)2-5-9;3-2(4,5)1(6)7/h7,10H,1-6,8H2;(H,6,7).
What are the key properties of 1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid?
1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid has a molecular weight of 258.24 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131724001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).