N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride

C13H19ClF3N3O2S — CID 120709736

IUPACN-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1.Cl
InChIInChI=1S/C13H18F3N3O2S.ClH/c1-17-8-10-4-6-19(7-5-10)22(20,21)11-2-3-12(18-9-11)13(14,15)16;/h2-3,9-10,17H,4-8H2,1H3;1H
InChIKeyIHOPDOOOVJVFMT-UHFFFAOYSA-N
MW373.83 g/mol
LogP2.14
Rot. Bonds4

About N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride

N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 120709736) has the molecular formula C13H19ClF3N3O2S and a molecular weight of 373.83 g/mol. Its IUPAC name is N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID120709736
Molecular FormulaC13H19ClF3N3O2S
Molecular Weight373.83 g/mol
Exact Mass373.08
IUPAC NameN-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCNCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1.Cl
InChIInChI=1S/C13H18F3N3O2S.ClH/c1-17-8-10-4-6-19(7-5-10)22(20,21)11-2-3-12(18-9-11)13(14,15)16;/h2-3,9-10,17H,4-8H2,1H3;1H
InChIKeyIHOPDOOOVJVFMT-UHFFFAOYSA-N
XLogP2.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.83
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanamine
CID 120709622
N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068
1-[1-[4-(2-methoxyethoxy)phenyl]sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978169
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978171
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
1-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 119978268
1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid
CID 122068541
N-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119978069
2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylisoindole-1,3-dione
CID 119978462
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978398
N,2-dimethyl-4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 120875001

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride (CID 120709736) is N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride is CNCC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)CC1.Cl.
What is the InChIKey of N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is IHOPDOOOVJVFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2S.ClH/c1-17-8-10-4-6-19(7-5-10)22(20,21)11-2-3-12(18-9-11)13(14,15)16;/h2-3,9-10,17H,4-8H2,1H3;1H.
What are the key properties of N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride?
N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 373.83 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 120709736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).