1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

C12H18F3N3O — CID 75509398

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1nn(C)cc1CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3O/c1-9-10(7-17(2)16-9)8-18-5-3-11(19,4-6-18)12(13,14)15/h7,19H,3-6,8H2,1-2H3
InChIKeyNWQUNNAFHFMTQF-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.62
Rot. Bonds2

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 75509398) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
PubChem CID75509398
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
SMILESCc1nn(C)cc1CN1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3O/c1-9-10(7-17(2)16-9)8-18-5-3-11(19,4-6-18)12(13,14)15/h7,19H,3-6,8H2,1-2H3
InChIKeyNWQUNNAFHFMTQF-UHFFFAOYSA-N
XLogP1.62
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1,5-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 53193291
{(3S,4S)-3-(dimethylamino)-1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]hexahydro-4-pyridinyl}methanol
CID 91920881
(4S*)-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-3,3,4-trimethylpiperidin-4-ol
CID 70780698
1-[(3-Ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75500665
1-[(1-Ethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75500667
1-[(1-Propylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75509389
1-[(2-Ethylpyrazol-3-YL)methyl]-4-(trifluoromethyl)piperidin-4-OL
CID 86796031
(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluoro-3-methylpiperidine
CID 129488065
4-Ethoxy-4-methyl-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidine
CID 137971939
[(3S)-1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]-3-propan-2-ylpiperidin-3-yl]methanol
CID 164637019
(1-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-3-(propan-2-yl)piperidin-3-yl)methanol
CID 137973924
1-methyl-N-(2-methylpropyl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-amine
CID 70879299

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol (CID 75509398) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is Cc1nn(C)cc1CN1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is NWQUNNAFHFMTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-9-10(7-17(2)16-9)8-18-5-3-11(19,4-6-18)12(13,14)15/h7,19H,3-6,8H2,1-2H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 277.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 75509398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).