ethyl acetate;piperidin-4-ol;hydrochloride

C9H20ClNO3 — CID 174311482

IUPACethyl acetate;piperidin-4-ol;hydrochloride
SMILESCCOC(C)=O.Cl.OC1CCNCC1
InChIInChI=1S/C5H11NO.C4H8O2.ClH/c7-5-1-3-6-4-2-5;1-3-6-4(2)5;/h5-7H,1-4H2;3H2,1-2H3;1H
InChIKeyOPHYOMHERPSFFQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP0.72
Rot. Bonds1

About ethyl acetate;piperidin-4-ol;hydrochloride

ethyl acetate;piperidin-4-ol;hydrochloride (PubChem CID 174311482) has the molecular formula C9H20ClNO3 and a molecular weight of 225.72 g/mol. Its IUPAC name is ethyl acetate;piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Nameethyl acetate;piperidin-4-ol;hydrochloride
PubChem CID174311482
Molecular FormulaC9H20ClNO3
Molecular Weight225.72 g/mol
Exact Mass225.11
IUPAC Nameethyl acetate;piperidin-4-ol;hydrochloride
SMILESCCOC(C)=O.Cl.OC1CCNCC1
InChIInChI=1S/C5H11NO.C4H8O2.ClH/c7-5-1-3-6-4-2-5;1-3-6-4(2)5;/h5-7H,1-4H2;3H2,1-2H3;1H
InChIKeyOPHYOMHERPSFFQ-UHFFFAOYSA-N
XLogP0.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 21477582
ethyl acetate;trihydrochloride
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ethyl acetate;hydrochloride;hydroiodide
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CID 158820537
(cyclohexane);ethyl acetate
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pentadecakis(cyclohexane);ethyl acetate
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ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;λ2-plumbane
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ethyl acetate;hydroiodide
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ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;piperidin-4-ol;hydrochloride?
The IUPAC name of ethyl acetate;piperidin-4-ol;hydrochloride (CID 174311482) is ethyl acetate;piperidin-4-ol;hydrochloride.
What is the SMILES notation for ethyl acetate;piperidin-4-ol;hydrochloride?
The canonical SMILES for ethyl acetate;piperidin-4-ol;hydrochloride is CCOC(C)=O.Cl.OC1CCNCC1.
What is the InChIKey of ethyl acetate;piperidin-4-ol;hydrochloride?
The InChIKey is OPHYOMHERPSFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C4H8O2.ClH/c7-5-1-3-6-4-2-5;1-3-6-4(2)5;/h5-7H,1-4H2;3H2,1-2H3;1H.
What are the key properties of ethyl acetate;piperidin-4-ol;hydrochloride?
ethyl acetate;piperidin-4-ol;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;piperidin-4-ol;hydrochloride is sourced from PubChem (CID 174311482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).