ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate

C12H23NO3 — CID 144936847

IUPACethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate
SMILESCC.COC(=O)C1(N2CCC(O)CC2)CC1
InChIInChI=1S/C10H17NO3.C2H6/c1-14-9(13)10(4-5-10)11-6-2-8(12)3-7-11;1-2/h8,12H,2-7H2,1H3;1-2H3
InChIKeyVEWPUMSNPCOMOK-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds2

About ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate

ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate (PubChem CID 144936847) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate
PubChem CID144936847
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate
SMILESCC.COC(=O)C1(N2CCC(O)CC2)CC1
InChIInChI=1S/C10H17NO3.C2H6/c1-14-9(13)10(4-5-10)11-6-2-8(12)3-7-11;1-2/h8,12H,2-7H2,1H3;1-2H3
InChIKeyVEWPUMSNPCOMOK-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate (CID 144936847) is ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate is CC.COC(=O)C1(N2CCC(O)CC2)CC1.
What is the InChIKey of ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate?
The InChIKey is VEWPUMSNPCOMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3.C2H6/c1-14-9(13)10(4-5-10)11-6-2-8(12)3-7-11;1-2/h8,12H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate?
ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1-(4-hydroxypiperidin-1-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 144936847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).