2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol

C12H21N5O — CID 107229347

IUPAC2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCc1c(NN)ncnc1N1CCCC(CCO)C1
InChIInChI=1S/C12H21N5O/c1-9-11(16-13)14-8-15-12(9)17-5-2-3-10(7-17)4-6-18/h8,10,18H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyUNFDKGPXPGHCJJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.67
Rot. Bonds4

About 2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol

2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol (PubChem CID 107229347) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
PubChem CID107229347
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
SMILESCc1c(NN)ncnc1N1CCCC(CCO)C1
InChIInChI=1S/C12H21N5O/c1-9-11(16-13)14-8-15-12(9)17-5-2-3-10(7-17)4-6-18/h8,10,18H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyUNFDKGPXPGHCJJ-UHFFFAOYSA-N
XLogP0.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.67
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'}

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Related Compounds

2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229203
2-[1-[6-(ethylamino)-5-propylpyrimidin-4-yl]piperidin-3-yl]ethanol
CID 107229306
2-[1-(6-amino-5-bromopyrimidin-4-yl)piperidin-3-yl]ethanol
CID 114072871
[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80931874
2-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]ethanol
CID 62357139
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 107226933
N'-hydroxy-3-[3-(2-hydroxyethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
CID 136811804
2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 105370226
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80930838
2-[1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802835
2-[1-[3-(aminomethyl)pyrazin-2-yl]piperidin-3-yl]ethanol
CID 107227067
2-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 105367514

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol (CID 107229347) is 2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol is Cc1c(NN)ncnc1N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
The InChIKey is UNFDKGPXPGHCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-11(16-13)14-8-15-12(9)17-5-2-3-10(7-17)4-6-18/h8,10,18H,2-7,13H2,1H3,(H,14,15,16).
What are the key properties of 2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol?
2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107229347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).