N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid

C14H23F3N4O2 — CID 155225239

IUPACN-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCCC(Nc2cnn(C)c2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4.C2HF3O2/c1-10(2)16-6-4-5-11(9-16)14-12-7-13-15(3)8-12;3-2(4,5)1(6)7/h7-8,10-11,14H,4-6,9H2,1-3H3;(H,6,7)
InChIKeyWVISWMAZMBMTIN-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.34
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid

N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 155225239) has the molecular formula C14H23F3N4O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID155225239
Molecular FormulaC14H23F3N4O2
Molecular Weight336.36 g/mol
Exact Mass336.18
IUPAC NameN-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)N1CCCC(Nc2cnn(C)c2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N4.C2HF3O2/c1-10(2)16-6-4-5-11(9-16)14-12-7-13-15(3)8-12;3-2(4,5)1(6)7/h7-8,10-11,14H,4-6,9H2,1-3H3;(H,6,7)
InChIKeyWVISWMAZMBMTIN-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid (CID 155225239) is N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid is CC(C)N1CCCC(Nc2cnn(C)c2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is WVISWMAZMBMTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4.C2HF3O2/c1-10(2)16-6-4-5-11(9-16)14-12-7-13-15(3)8-12;3-2(4,5)1(6)7/h7-8,10-11,14H,4-6,9H2,1-3H3;(H,6,7).
What are the key properties of N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid?
N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 336.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-1-propan-2-ylpiperidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155225239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).