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

C11H17F3N4O2 — CID 155225030

IUPACN-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCn1cc(NC2CCNCC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N4.C2HF3O2/c1-13-7-9(6-11-13)12-8-2-4-10-5-3-8;3-2(4,5)1(6)7/h6-8,10,12H,2-5H2,1H3;(H,6,7)
InChIKeyOCQKBQWDDMCOEZ-UHFFFAOYSA-N
MW294.28 g/mol
LogP1.22
Rot. Bonds2

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

N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 155225030) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID155225030
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC NameN-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCn1cc(NC2CCNCC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H16N4.C2HF3O2/c1-13-7-9(6-11-13)12-8-2-4-10-5-3-8;3-2(4,5)1(6)7/h6-8,10,12H,2-5H2,1H3;(H,6,7)
InChIKeyOCQKBQWDDMCOEZ-UHFFFAOYSA-N
XLogP1.22
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid (CID 155225030) is N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid is Cn1cc(NC2CCNCC2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is OCQKBQWDDMCOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.C2HF3O2/c1-13-7-9(6-11-13)12-8-2-4-10-5-3-8;3-2(4,5)1(6)7/h6-8,10,12H,2-5H2,1H3;(H,6,7).
What are the key properties of N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid?
N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 294.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155225030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).