1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine

C18H22F3N3O — CID 24769551

IUPAC1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine
SMILESCc1cc(C(F)(F)F)n(-c2ccc(OCCN3CCCCC3)cc2)n1
InChIInChI=1S/C18H22F3N3O/c1-14-13-17(18(19,20)21)24(22-14)15-5-7-16(8-6-15)25-12-11-23-9-3-2-4-10-23/h5-8,13H,2-4,9-12H2,1H3
InChIKeyBMVCZCQLVLUZRL-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.06
Rot. Bonds5

About 1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine

1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine (PubChem CID 24769551) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is 1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine
PubChem CID24769551
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC Name1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine
SMILESCc1cc(C(F)(F)F)n(-c2ccc(OCCN3CCCCC3)cc2)n1
InChIInChI=1S/C18H22F3N3O/c1-14-13-17(18(19,20)21)24(22-14)15-5-7-16(8-6-15)25-12-11-23-9-3-2-4-10-23/h5-8,13H,2-4,9-12H2,1H3
InChIKeyBMVCZCQLVLUZRL-UHFFFAOYSA-N
XLogP4.06
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine (CID 24769551) is 1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine is Cc1cc(C(F)(F)F)n(-c2ccc(OCCN3CCCCC3)cc2)n1.
What is the InChIKey of 1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine?
The InChIKey is BMVCZCQLVLUZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-14-13-17(18(19,20)21)24(22-14)15-5-7-16(8-6-15)25-12-11-23-9-3-2-4-10-23/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of 1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine?
1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine has a molecular weight of 353.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenoxy]ethyl]piperidine is sourced from PubChem (CID 24769551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).