1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid

C12H19F3N4O2 — CID 155225318

IUPAC1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCN1CCC(Nc2cnn(C)c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N4.C2HF3O2/c1-13-5-3-9(4-6-13)12-10-7-11-14(2)8-10;3-2(4,5)1(6)7/h7-9,12H,3-6H2,1-2H3;(H,6,7)
InChIKeyNCWNGYOAFKEBIB-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.56
Rot. Bonds2

About 1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid

1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 155225318) has the molecular formula C12H19F3N4O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID155225318
Molecular FormulaC12H19F3N4O2
Molecular Weight308.30 g/mol
Exact Mass308.15
IUPAC Name1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCN1CCC(Nc2cnn(C)c2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N4.C2HF3O2/c1-13-5-3-9(4-6-13)12-10-7-11-14(2)8-10;3-2(4,5)1(6)7/h7-9,12H,3-6H2,1-2H3;(H,6,7)
InChIKeyNCWNGYOAFKEBIB-UHFFFAOYSA-N
XLogP1.56
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(1-methylpyrazol-4-yl)-2-azaspiro[3.3]heptan-6-amine;2,2,2-trifluoroacetic acid
CID 155225138
N-(2,2-dimethyloxan-4-yl)-1-methylpyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 155225215
(1-methylpyrazol-4-yl)hydrazine;2,2,2-trifluoroacetic acid
CID 135303812
1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 155225186
N-cyclododecyl-1-methylpyrazol-4-amine
CID 43535013
N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine
CID 43535007
N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride
CID 91811702
N-(1-methylpiperidin-4-yl)pyrimidin-5-amine
CID 83484174
N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine
CID 43534709
N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpiperidin-4-yl)pyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 154891846
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 79797778
2-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820413

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 155225318) is 1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid is CN1CCC(Nc2cnn(C)c2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is NCWNGYOAFKEBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4.C2HF3O2/c1-13-5-3-9(4-6-13)12-10-7-11-14(2)8-10;3-2(4,5)1(6)7/h7-9,12H,3-6H2,1-2H3;(H,6,7).
What are the key properties of 1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 308.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155225318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).