1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol

C12H18F3N5O — CID 106839962

IUPAC1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(C(F)(F)F)nc(NN)n2)CC1
InChIInChI=1S/C12H18F3N5O/c1-7(21)8-2-4-20(5-3-8)10-6-9(12(13,14)15)17-11(18-10)19-16/h6-8,21H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyAWNQSYDXQPPXQP-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.38
Rot. Bonds3

About 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol

1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol (PubChem CID 106839962) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
PubChem CID106839962
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(c2cc(C(F)(F)F)nc(NN)n2)CC1
InChIInChI=1S/C12H18F3N5O/c1-7(21)8-2-4-20(5-3-8)10-6-9(12(13,14)15)17-11(18-10)19-16/h6-8,21H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyAWNQSYDXQPPXQP-UHFFFAOYSA-N
XLogP1.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112629787
2-[4-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 114566945
1-[1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839876
1-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 114563784
[4-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567450
[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 102972022
[4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567233
4-(4-cyclopropylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564374
[6-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 103504770
1-[1-[2-[3-(1-hydroxyethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol
CID 133397942
4-(3-ethylpyrrolidin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114565756
1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112627873

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol (CID 106839962) is 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol is CC(O)C1CCN(c2cc(C(F)(F)F)nc(NN)n2)CC1.
What is the InChIKey of 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
The InChIKey is AWNQSYDXQPPXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-7(21)8-2-4-20(5-3-8)10-6-9(12(13,14)15)17-11(18-10)19-16/h6-8,21H,2-5,16H2,1H3,(H,17,18,19).
What are the key properties of 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol?
1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol has a molecular weight of 305.30 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106839962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).