[(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol

C14H22F3N3O — CID 164642587

IUPAC[(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol
SMILESCn1nc(C(F)(F)F)cc1CN1CC(C)(C)CC[C@@H]1CO
InChIInChI=1S/C14H22F3N3O/c1-13(2)5-4-10(8-21)20(9-13)7-11-6-12(14(15,16)17)18-19(11)3/h6,10,21H,4-5,7-9H2,1-3H3/t10-/m1/s1
InChIKeyKVVZRVDNQRWSJU-SNVBAGLBSA-N
MW305.34 g/mol
LogP2.42
Rot. Bonds3

About [(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol

[(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol (PubChem CID 164642587) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is [(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol
PubChem CID164642587
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name[(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol
SMILESCn1nc(C(F)(F)F)cc1CN1CC(C)(C)CC[C@@H]1CO
InChIInChI=1S/C14H22F3N3O/c1-13(2)5-4-10(8-21)20(9-13)7-11-6-12(14(15,16)17)18-19(11)3/h6,10,21H,4-5,7-9H2,1-3H3/t10-/m1/s1
InChIKeyKVVZRVDNQRWSJU-SNVBAGLBSA-N
XLogP2.42
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol with MolForge

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Related Compounds

[1-[(2,5-Dimethylpyrazol-3-yl)methyl]-4,4-difluoropiperidin-3-yl]methanol
CID 124051235
2-[4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
CID 118149713
2-[3-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanol
CID 134331608
2-[4-[5-Tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
CID 134331620
2-[4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanol
CID 134331677
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 72043977
(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 95978820
(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 95978821
2-[2,2-Difluoroethyl-[(2,5-dimethylpyrazol-3-yl)methyl]amino]ethanol
CID 107485053
2-[(1,3-Diethylpyrazol-5-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485056
2-[(2,5-Dimethylpyrazol-3-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485759
2-[(1,3-Diethylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107485762

Frequently Asked Questions

What is the IUPAC name of [(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol (CID 164642587) is [(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol is Cn1nc(C(F)(F)F)cc1CN1CC(C)(C)CC[C@@H]1CO.
What is the InChIKey of [(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol?
The InChIKey is KVVZRVDNQRWSJU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-13(2)5-4-10(8-21)20(9-13)7-11-6-12(14(15,16)17)18-19(11)3/h6,10,21H,4-5,7-9H2,1-3H3/t10-/m1/s1.
What are the key properties of [(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol?
[(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol has a molecular weight of 305.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5,5-dimethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 164642587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).