ethane;piperidin-4-yl acetate

C9H19NO2 — CID 144574283

IUPACethane;piperidin-4-yl acetate
SMILESCC.CC(=O)OC1CCNCC1
InChIInChI=1S/C7H13NO2.C2H6/c1-6(9)10-7-2-4-8-5-3-7;1-2/h7-8H,2-5H2,1H3;1-2H3
InChIKeyOIQMLHOAOWKQPP-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds1

About ethane;piperidin-4-yl acetate

ethane;piperidin-4-yl acetate (PubChem CID 144574283) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;piperidin-4-yl acetate.

Molecular Properties

Compound Nameethane;piperidin-4-yl acetate
PubChem CID144574283
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethane;piperidin-4-yl acetate
SMILESCC.CC(=O)OC1CCNCC1
InChIInChI=1S/C7H13NO2.C2H6/c1-6(9)10-7-2-4-8-5-3-7;1-2/h7-8H,2-5H2,1H3;1-2H3
InChIKeyOIQMLHOAOWKQPP-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dipiperidin-4-yl carbonate
CID 129132812
(6-acetyloxycyclodecyl) acetate
CID 539578
methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
cycloheptadecyl acetate
CID 57215828
(2,2-difluoropiperidin-4-yl) acetate
CID 174917089
piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride
CID 175355615
azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
tert-butyl piperidin-4-yl carbonate
CID 22078382
piperidin-4-yl 2-methoxyacetate
CID 53410127
lithium;carbanide;cyclohexyl acetate
CID 158677387
[(4S)-3-acetyloxypiperidin-4-yl] acetate
CID 66827277

Frequently Asked Questions

What is the IUPAC name of ethane;piperidin-4-yl acetate?
The IUPAC name of ethane;piperidin-4-yl acetate (CID 144574283) is ethane;piperidin-4-yl acetate.
What is the SMILES notation for ethane;piperidin-4-yl acetate?
The canonical SMILES for ethane;piperidin-4-yl acetate is CC.CC(=O)OC1CCNCC1.
What is the InChIKey of ethane;piperidin-4-yl acetate?
The InChIKey is OIQMLHOAOWKQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-6(9)10-7-2-4-8-5-3-7;1-2/h7-8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;piperidin-4-yl acetate?
ethane;piperidin-4-yl acetate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;piperidin-4-yl acetate is sourced from PubChem (CID 144574283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).