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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Related Compounds

methyl 1-(4,4-difluoropiperidin-1-yl)cyclopropane-1-carboxylate
CID 169171710
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CID 65085861
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methyl 1-piperazin-1-yl-4-propylcyclohexane-1-carboxylate
CID 54895216
methyl 1,1-dioxo-4-piperazin-1-ylthiane-4-carboxylate
CID 54981399
methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
CID 164519909
methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate
CID 54895312
methyl 1-piperazin-1-yl-4-propylcycloheptane-1-carboxylate
CID 65089164
bis(methyl (3S)-1',1'-difluorospiro[1-azabicyclo[3.2.0]heptane-3,2'-cyclopropane]-5-carboxylate);bis(methyl (3R)-1',1'-difluorospiro[1-azabicyclo[3.2.0]heptane-3,2'-cyclopropane]-5-carboxylate)
CID 167677867
methyl 1-fluoro-5-hydroxy-3,3a,4,5,6,6a-hexahydro-2H-pentalene-1-carboxylate
CID 166484625
methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 105441160
methyl (2R,6S)-2,6-difluoro-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 170677374

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).