1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine

C18H22F3N3O — CID 162628134

IUPAC1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine
SMILESCc1cc(C)c(CN2CCC(OC(F)(F)F)CC2)c(-n2cccn2)c1
InChIInChI=1S/C18H22F3N3O/c1-13-10-14(2)16(17(11-13)24-7-3-6-22-24)12-23-8-4-15(5-9-23)25-18(19,20)21/h3,6-7,10-11,15H,4-5,8-9,12H2,1-2H3
InChIKeyAYSVDFZXIDUVTC-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.99
Rot. Bonds4

About 1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine

1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine (PubChem CID 162628134) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine
PubChem CID162628134
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine
SMILESCc1cc(C)c(CN2CCC(OC(F)(F)F)CC2)c(-n2cccn2)c1
InChIInChI=1S/C18H22F3N3O/c1-13-10-14(2)16(17(11-13)24-7-3-6-22-24)12-23-8-4-15(5-9-23)25-18(19,20)21/h3,6-7,10-11,15H,4-5,8-9,12H2,1-2H3
InChIKeyAYSVDFZXIDUVTC-UHFFFAOYSA-N
XLogP3.99
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine?
The IUPAC name of 1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine (CID 162628134) is 1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine.
What is the SMILES notation for 1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine?
The canonical SMILES for 1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine is Cc1cc(C)c(CN2CCC(OC(F)(F)F)CC2)c(-n2cccn2)c1.
What is the InChIKey of 1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine?
The InChIKey is AYSVDFZXIDUVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-13-10-14(2)16(17(11-13)24-7-3-6-22-24)12-23-8-4-15(5-9-23)25-18(19,20)21/h3,6-7,10-11,15H,4-5,8-9,12H2,1-2H3.
What are the key properties of 1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine?
1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine has a molecular weight of 353.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-4-(trifluoromethoxy)piperidine is sourced from PubChem (CID 162628134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).