[4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone

C15H20F3N3O2 — CID 166227834

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
SMILESCC(N)C1CCN(C(=O)c2ncccc2OCC(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O2/c1-10(19)11-4-7-21(8-5-11)14(22)13-12(3-2-6-20-13)23-9-15(16,17)18/h2-3,6,10-11H,4-5,7-9,19H2,1H3
InChIKeyANTLGMMMHGFARG-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.22
Rot. Bonds4

About [4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone

[4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone (PubChem CID 166227834) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
PubChem CID166227834
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
SMILESCC(N)C1CCN(C(=O)c2ncccc2OCC(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O2/c1-10(19)11-4-7-21(8-5-11)14(22)13-12(3-2-6-20-13)23-9-15(16,17)18/h2-3,6,10-11H,4-5,7-9,19H2,1H3
InChIKeyANTLGMMMHGFARG-UHFFFAOYSA-N
XLogP2.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone 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

[4-(3-aminopropoxy)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 119661860
(2,6-dimethylthiomorpholin-4-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 71974411
[(3S)-3-methylpiperazin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 124591094
(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 71979487
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 120807882
1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 119349625
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 110023160
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone;hydrochloride
CID 119593611
(3-ethoxy-2-pyridinyl)-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 71979423
2-[4-(3-ethoxypyridine-2-carbonyl)piperazin-1-yl]-3-methylbutanenitrile
CID 71979464
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
(1-benzyl-1,6-diazaspiro[3.3]heptan-6-yl)-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 138054995

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone (CID 166227834) is [4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone is CC(N)C1CCN(C(=O)c2ncccc2OCC(F)(F)F)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
The InChIKey is ANTLGMMMHGFARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10(19)11-4-7-21(8-5-11)14(22)13-12(3-2-6-20-13)23-9-15(16,17)18/h2-3,6,10-11H,4-5,7-9,19H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone has a molecular weight of 331.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 166227834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).