4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine

C16H26F3N3 — CID 176640308

IUPAC4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)(C)c1cnn(C2CCN(CC(F)(F)F)C(C)(C)C2)c1
InChIInChI=1S/C16H26F3N3/c1-14(2,3)12-9-20-22(10-12)13-6-7-21(11-16(17,18)19)15(4,5)8-13/h9-10,13H,6-8,11H2,1-5H3
InChIKeyUDOHSQIUEVZLAW-UHFFFAOYSA-N
MW317.40 g/mol
LogP4.16
Rot. Bonds2

About 4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine

4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 176640308) has the molecular formula C16H26F3N3 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID176640308
Molecular FormulaC16H26F3N3
Molecular Weight317.40 g/mol
Exact Mass317.21
IUPAC Name4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCC(C)(C)c1cnn(C2CCN(CC(F)(F)F)C(C)(C)C2)c1
InChIInChI=1S/C16H26F3N3/c1-14(2,3)12-9-20-22(10-12)13-6-7-21(11-16(17,18)19)15(4,5)8-13/h9-10,13H,6-8,11H2,1-5H3
InChIKeyUDOHSQIUEVZLAW-UHFFFAOYSA-N
XLogP4.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-(4,4-difluorocyclohexyl)pyrazole
CID 146367376
4-[4-(1,1-difluoroethyl)pyrazol-1-yl]-1-propan-2-ylpiperidine
CID 129227656
4-(4-tert-butylpyrazol-1-yl)-2-(difluoromethyl)-1-methylpiperidine
CID 176640315
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)piperidine
CID 67363598
(4R)-4-(4-bromopyrazol-1-yl)-1,2,2-trimethylpiperidine
CID 168945390
(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine
CID 170927501
3-[4-(2-fluoropropan-2-yl)pyrazol-1-yl]piperidine
CID 84734594
N-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine
CID 79643708
ethyl 1-(methylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylate
CID 79646418
tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
CID 170927522
1-(3,3-difluorocyclobutyl)-4-methylpyrazole;ethane;propane
CID 171505907
1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide
CID 79646419

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine (CID 176640308) is 4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine is CC(C)(C)c1cnn(C2CCN(CC(F)(F)F)C(C)(C)C2)c1.
What is the InChIKey of 4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is UDOHSQIUEVZLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3/c1-14(2,3)12-9-20-22(10-12)13-6-7-21(11-16(17,18)19)15(4,5)8-13/h9-10,13H,6-8,11H2,1-5H3.
What are the key properties of 4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine?
4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 317.40 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylpyrazol-1-yl)-2,2-dimethyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 176640308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).