2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride

C13H21Cl3F3N3O — CID 142429283

IUPAC2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride
SMILESCl.Cl.Cl.NCCN1CCC(c2cccc(OC(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F3N3O.3ClH/c14-13(15,16)20-12-3-1-2-11(18-12)10-4-7-19(8-5-10)9-6-17;;;/h1-3,10H,4-9,17H2;3*1H
InChIKeyNHCDIDDIHXOYBV-UHFFFAOYSA-N
MW398.68 g/mol
LogP3.38
Rot. Bonds4

About 2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride

2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride (PubChem CID 142429283) has the molecular formula C13H21Cl3F3N3O and a molecular weight of 398.68 g/mol. Its IUPAC name is 2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride.

Molecular Properties

Compound Name2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride
PubChem CID142429283
Molecular FormulaC13H21Cl3F3N3O
Molecular Weight398.68 g/mol
Exact Mass397.07
IUPAC Name2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride
SMILESCl.Cl.Cl.NCCN1CCC(c2cccc(OC(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F3N3O.3ClH/c14-13(15,16)20-12-3-1-2-11(18-12)10-4-7-19(8-5-10)9-6-17;;;/h1-3,10H,4-9,17H2;3*1H
InChIKeyNHCDIDDIHXOYBV-UHFFFAOYSA-N
XLogP3.38
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethanamine
CID 71651587
ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine
CID 91234805
2-[4-(aminomethyl)piperidin-1-yl]ethanamine;4-(trifluoromethoxy)benzenethiol
CID 162435343
2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine
CID 151092475
3-methyl-2-[[4-[6-[[2-(trifluoromethoxy)phenyl]methoxy]-2-pyridinyl]piperidin-1-yl]methyl]benzimidazole-5-carboxylic acid
CID 139208540
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanamine;dihydrochloride
CID 130841205
(6-cyclopropyl-2-pyridinyl)methanamine;dihydrochloride
CID 162422686
2-[4-[5-(trifluoromethoxy)-1H-indol-3-yl]piperidin-1-yl]ethanamine;N-[2-[4-[5-(trifluoromethoxy)-1H-indol-3-yl]piperidin-1-yl]ethyl]quinoline-8-sulfonamide
CID 159228278
4-[2-fluoro-3-(trifluoromethoxy)phenyl]-1-propylpiperidine
CID 11702233
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
CID 82292770

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride?
The IUPAC name of 2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride (CID 142429283) is 2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride.
What is the SMILES notation for 2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride?
The canonical SMILES for 2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride is Cl.Cl.Cl.NCCN1CCC(c2cccc(OC(F)(F)F)n2)CC1.
What is the InChIKey of 2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride?
The InChIKey is NHCDIDDIHXOYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O.3ClH/c14-13(15,16)20-12-3-1-2-11(18-12)10-4-7-19(8-5-10)9-6-17;;;/h1-3,10H,4-9,17H2;3*1H.
What are the key properties of 2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride?
2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride has a molecular weight of 398.68 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(trifluoromethoxy)-2-pyridinyl]piperidin-1-yl]ethanamine;trihydrochloride is sourced from PubChem (CID 142429283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).