[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride

C13H18Cl2F3N3O — CID 119464987

IUPAC[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H16F3N3O.2ClH/c14-13(15,16)10-3-4-11(18-7-10)12(20)19-5-1-2-9(6-17)8-19;;/h3-4,7,9H,1-2,5-6,8,17H2;2*1H
InChIKeyAFKMNXMPMVQVNP-UHFFFAOYSA-N
MW360.21 g/mol
LogP2.75
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride

[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride (PubChem CID 119464987) has the molecular formula C13H18Cl2F3N3O and a molecular weight of 360.21 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride
PubChem CID119464987
Molecular FormulaC13H18Cl2F3N3O
Molecular Weight360.21 g/mol
Exact Mass359.08
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCN(C(=O)c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C13H16F3N3O.2ClH/c14-13(15,16)10-3-4-11(18-7-10)12(20)19-5-1-2-9(6-17)8-19;;/h3-4,7,9H,1-2,5-6,8,17H2;2*1H
InChIKeyAFKMNXMPMVQVNP-UHFFFAOYSA-N
XLogP2.75
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride 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

[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115736878
[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119464950
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62959741
(4-amino-3-methylpiperidin-1-yl)-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115737426
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone;dihydrochloride
CID 120727576
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115737597
[2-(aminomethyl)-4-methylpiperazin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115737872
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
[3-(methylaminomethyl)piperidin-1-yl]-[1-[5-(trifluoromethyl)-2-pyridinyl]triazol-4-yl]methanone;dihydrochloride
CID 119395099
[3-(2-aminoethyl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63765933
3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805953
[3-(aminomethyl)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119464998

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride (CID 119464987) is [3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride is Cl.Cl.NCC1CCCN(C(=O)c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride?
The InChIKey is AFKMNXMPMVQVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O.2ClH/c14-13(15,16)10-3-4-11(18-7-10)12(20)19-5-1-2-9(6-17)8-19;;/h3-4,7,9H,1-2,5-6,8,17H2;2*1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride?
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride has a molecular weight of 360.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119464987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).