methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate

C12H23NO3 — CID 114502582

IUPACmethyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCC(O)C(C)C1
InChIInChI=1S/C12H23NO3/c1-9-7-13(6-5-10(9)14)8-12(2,3)11(15)16-4/h9-10,14H,5-8H2,1-4H3
InChIKeyLZGGTBDKLLDXHR-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.89
Rot. Bonds3

About methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate

methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate (PubChem CID 114502582) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate
PubChem CID114502582
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCC(O)C(C)C1
InChIInChI=1S/C12H23NO3/c1-9-7-13(6-5-10(9)14)8-12(2,3)11(15)16-4/h9-10,14H,5-8H2,1-4H3
InChIKeyLZGGTBDKLLDXHR-UHFFFAOYSA-N
XLogP0.89
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate
CID 106670150
methyl 3-(3-aminopyrrolidin-1-yl)-2,2-dimethylpropanoate;hydrochloride
CID 164888555
methyl 3-[(3R)-3-aminopiperidin-1-yl]-2,2-dimethylpropanoate
CID 102984510
methyl 3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2,2-dimethylpropanoate
CID 103976271
methyl 3-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2,2-dimethylpropanoate
CID 79631848
methyl 3-[3-(hydroxymethyl)azetidin-1-yl]-2,2-dimethylpropanoate
CID 79621134
1-[3-(ethylamino)-2,2-dimethylbutyl]-3-methylpiperidin-4-ol
CID 114681950
methyl 3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621757
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590
methyl 3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropanoate
CID 79621228

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate (CID 114502582) is methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CCC(O)C(C)C1.
What is the InChIKey of methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate?
The InChIKey is LZGGTBDKLLDXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9-7-13(6-5-10(9)14)8-12(2,3)11(15)16-4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate?
methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate has a molecular weight of 229.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-hydroxy-3-methylpiperidin-1-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 114502582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).