1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid

C14H23F3N4O2 — CID 155225015

IUPAC1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)n1cc(NC2CCCN(C)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4.C2HF3O2/c1-10(2)16-9-12(7-13-16)14-11-5-4-6-15(3)8-11;3-2(4,5)1(6)7/h7,9-11,14H,4-6,8H2,1-3H3;(H,6,7)
InChIKeyODSDYHPXYCZLPJ-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.60
Rot. Bonds3

About 1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid

1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 155225015) has the molecular formula C14H23F3N4O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID155225015
Molecular FormulaC14H23F3N4O2
Molecular Weight336.36 g/mol
Exact Mass336.18
IUPAC Name1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)n1cc(NC2CCCN(C)C2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4.C2HF3O2/c1-10(2)16-9-12(7-13-16)14-11-5-4-6-15(3)8-11;3-2(4,5)1(6)7/h7,9-11,14H,4-6,8H2,1-3H3;(H,6,7)
InChIKeyODSDYHPXYCZLPJ-UHFFFAOYSA-N
XLogP2.60
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid (CID 155225015) is 1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid is CC(C)n1cc(NC2CCCN(C)C2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is ODSDYHPXYCZLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4.C2HF3O2/c1-10(2)16-9-12(7-13-16)14-11-5-4-6-15(3)8-11;3-2(4,5)1(6)7/h7,9-11,14H,4-6,8H2,1-3H3;(H,6,7).
What are the key properties of 1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid?
1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 336.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-propan-2-ylpyrazol-4-yl)piperidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155225015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).