ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate

C12H23NO3 — CID 81097454

IUPACethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)CN1CCC(C)(O)CC1
InChIInChI=1S/C12H23NO3/c1-4-16-11(14)10(2)9-13-7-5-12(3,15)6-8-13/h10,15H,4-9H2,1-3H3
InChIKeyFHDLUNCTUUTQLN-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds4

About ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate

ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate (PubChem CID 81097454) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate
PubChem CID81097454
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)CN1CCC(C)(O)CC1
InChIInChI=1S/C12H23NO3/c1-4-16-11(14)10(2)9-13-7-5-12(3,15)6-8-13/h10,15H,4-9H2,1-3H3
InChIKeyFHDLUNCTUUTQLN-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanamide
CID 81116171
ethyl 2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoate
CID 62930265
3-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropanoic acid
CID 107405121
ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate
CID 55068243
ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate
CID 140660680
1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 81103491
methyl 3-(4,4-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 62930775
ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylpropanoate
CID 79410419
ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate
CID 65250331
ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103502066
1-(2-hydroxybutyl)-4-methylpiperidin-4-ol
CID 80703400
ethyl 2-(4-hydroxy-4-methylazepan-1-yl)butanoate
CID 107405138

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate?
The IUPAC name of ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate (CID 81097454) is ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate is CCOC(=O)C(C)CN1CCC(C)(O)CC1.
What is the InChIKey of ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate?
The InChIKey is FHDLUNCTUUTQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-16-11(14)10(2)9-13-7-5-12(3,15)6-8-13/h10,15H,4-9H2,1-3H3.
What are the key properties of ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate?
ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate has a molecular weight of 229.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 81097454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).