(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C12H15F3N4O — CID 105072274

IUPAC(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNNc1cnccc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-2-1-5-19(7-8)11(20)9-3-4-17-6-10(9)18-16/h3-4,6,8,18H,1-2,5,7,16H2
InChIKeySVHDEDXSPLJGBY-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.78
Rot. Bonds2

About (3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 105072274) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is (3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID105072274
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESNNc1cnccc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-2-1-5-19(7-8)11(20)9-3-4-17-6-10(9)18-16/h3-4,6,8,18H,1-2,5,7,16H2
InChIKeySVHDEDXSPLJGBY-UHFFFAOYSA-N
XLogP1.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 106673919
(3-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105072116
(3-hydrazinyl-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 105072540
N-isoquinolin-5-yl-2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 71889050
(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 105070498
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249
(5-amino-2-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61101822
(3-hydrazinyl-4-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105072063

Frequently Asked Questions

What is the IUPAC name of (3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 105072274) is (3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is NNc1cnccc1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is SVHDEDXSPLJGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)8-2-1-5-19(7-8)11(20)9-3-4-17-6-10(9)18-16/h3-4,6,8,18H,1-2,5,7,16H2.
What are the key properties of (3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 288.27 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 105072274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).