N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H23F3N4O — CID 119107053

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCOc1c(CNC2CCN(CC(F)(F)F)CC2)c(C)nn1C
InChIInChI=1S/C14H23F3N4O/c1-10-12(13(22-3)20(2)19-10)8-18-11-4-6-21(7-5-11)9-14(15,16)17/h11,18H,4-9H2,1-3H3
InChIKeyREAXJBZUNJGBCP-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.85
Rot. Bonds5

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 119107053) has the molecular formula C14H23F3N4O and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID119107053
Molecular FormulaC14H23F3N4O
Molecular Weight320.36 g/mol
Exact Mass320.18
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCOc1c(CNC2CCN(CC(F)(F)F)CC2)c(C)nn1C
InChIInChI=1S/C14H23F3N4O/c1-10-12(13(22-3)20(2)19-10)8-18-11-4-6-21(7-5-11)9-14(15,16)17/h11,18H,4-9H2,1-3H3
InChIKeyREAXJBZUNJGBCP-UHFFFAOYSA-N
XLogP1.85
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 119107053) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is COc1c(CNC2CCN(CC(F)(F)F)CC2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is REAXJBZUNJGBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N4O/c1-10-12(13(22-3)20(2)19-10)8-18-11-4-6-21(7-5-11)9-14(15,16)17/h11,18H,4-9H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 320.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 119107053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).