[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol

C12H17F3N4O — CID 102720517

IUPAC[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol
SMILESNNc1cc(C(F)(F)F)cc(N2CCCCC2CO)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-5-10(18-16)17-11(6-8)19-4-2-1-3-9(19)7-20/h5-6,9,20H,1-4,7,16H2,(H,17,18)
InChIKeyKXNPZNDLWPLYIO-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.74
Rot. Bonds3

About [1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol

[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol (PubChem CID 102720517) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol
PubChem CID102720517
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol
SMILESNNc1cc(C(F)(F)F)cc(N2CCCCC2CO)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)8-5-10(18-16)17-11(6-8)19-4-2-1-3-9(19)7-20/h5-6,9,20H,1-4,7,16H2,(H,17,18)
InChIKeyKXNPZNDLWPLYIO-UHFFFAOYSA-N
XLogP1.74
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102721155
[6-(2-propylpiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721064
[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102719469
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640797
[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 106771022
[(2S)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 124506768
2-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80927450
[1-(2-amino-6-methylpyrimidin-4-yl)piperidin-2-yl]methanol
CID 112726024
2-[1-(6-hydrazinyl-2-pyridinyl)piperidin-2-yl]ethanol
CID 80928543
[6-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 103504770
2-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 102721077
1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 106775658

Frequently Asked Questions

What is the IUPAC name of [1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol (CID 102720517) is [1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol is NNc1cc(C(F)(F)F)cc(N2CCCCC2CO)n1.
What is the InChIKey of [1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol?
The InChIKey is KXNPZNDLWPLYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)8-5-10(18-16)17-11(6-8)19-4-2-1-3-9(19)7-20/h5-6,9,20H,1-4,7,16H2,(H,17,18).
What are the key properties of [1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol?
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol has a molecular weight of 290.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol is sourced from PubChem (CID 102720517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).