[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine

C12H20F3N3O2S — CID 114491031

IUPAC[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C12H20F3N3O2S/c13-12(14,15)11-3-7-18(8-4-11)21(19,20)17-5-1-10(9-16)2-6-17/h3,10H,1-2,4-9,16H2
InChIKeyILUSUOMFUYNLOE-UHFFFAOYSA-N
MW327.37 g/mol
LogP1.10
Rot. Bonds3

About [1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine

[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine (PubChem CID 114491031) has the molecular formula C12H20F3N3O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is [1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine
PubChem CID114491031
Molecular FormulaC12H20F3N3O2S
Molecular Weight327.37 g/mol
Exact Mass327.12
IUPAC Name[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)CC1
InChIInChI=1S/C12H20F3N3O2S/c13-12(14,15)11-3-7-18(8-4-11)21(19,20)17-5-1-10(9-16)2-6-17/h3,10H,1-2,4-9,16H2
InChIKeyILUSUOMFUYNLOE-UHFFFAOYSA-N
XLogP1.10
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 113591684
2,2,2-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]ethanamine
CID 113965306
1-(piperidin-4-ylmethyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114489985
1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperazine
CID 114490303
1-(piperidin-4-ylmethylsulfonyl)-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490308
[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-2-yl]methanamine
CID 114491055
[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-3-yl]methanamine
CID 114491095
N-ethyl-N-methyl-N'-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)sulfamide
CID 56757093
4-[[[Ethyl(methyl)sulfamoyl]amino]methyl]-1-(2-methylpent-2-enyl)piperidine
CID 72072068
N-methyl-1-[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methanamine
CID 106317104
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]propan-1-amine
CID 106317128
N-[[1-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]piperidin-4-yl]methyl]ethanamine
CID 106317129

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine (CID 114491031) is [1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine is NCC1CCN(S(=O)(=O)N2CC=C(C(F)(F)F)CC2)CC1.
What is the InChIKey of [1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine?
The InChIKey is ILUSUOMFUYNLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2S/c13-12(14,15)11-3-7-18(8-4-11)21(19,20)17-5-1-10(9-16)2-6-17/h3,10H,1-2,4-9,16H2.
What are the key properties of [1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine?
[1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine has a molecular weight of 327.37 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 114491031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).