methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate

C14H28N2O5 — CID 106992894

IUPACmethyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate
SMILESCOCCOCC(O)CN1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C14H28N2O5/c1-19-9-10-21-12-13(17)11-16-7-5-15(6-8-16)4-3-14(18)20-2/h13,17H,3-12H2,1-2H3
InChIKeyIAHGDAGPRBYYIA-UHFFFAOYSA-N
MW304.39 g/mol
LogP-0.81
Rot. Bonds10

About methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate

methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate (PubChem CID 106992894) has the molecular formula C14H28N2O5 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate
PubChem CID106992894
Molecular FormulaC14H28N2O5
Molecular Weight304.39 g/mol
Exact Mass304.20
IUPAC Namemethyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate
SMILESCOCCOCC(O)CN1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C14H28N2O5/c1-19-9-10-21-12-13(17)11-16-7-5-15(6-8-16)4-3-14(18)20-2/h13,17H,3-12H2,1-2H3
InChIKeyIAHGDAGPRBYYIA-UHFFFAOYSA-N
XLogP-0.81
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
methyl 3-[2-[4-[3-[3-[3-[4-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]-2-hydroxypropoxy]-2,2-bis[[3-[4-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]-2-hydroxypropoxy]methyl]propoxy]-2-hydroxypropyl]piperazin-1-yl]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59029982
1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-(4-aminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106988179
methyl 3-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 78913615
3-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-4-yl]oxypropanoic acid
CID 106991448
methyl 3-[4-(2,2-diethoxyethyl)piperazin-1-yl]propanoate
CID 115537138
1-(4-hydroxyiminopiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106990906
1-(4-tert-butylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991971
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
(2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol
CID 40530981
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106992691

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate (CID 106992894) is methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate is COCCOCC(O)CN1CCN(CCC(=O)OC)CC1.
What is the InChIKey of methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate?
The InChIKey is IAHGDAGPRBYYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O5/c1-19-9-10-21-12-13(17)11-16-7-5-15(6-8-16)4-3-14(18)20-2/h13,17H,3-12H2,1-2H3.
What are the key properties of methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate?
methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate has a molecular weight of 304.39 g/mol, XLogP of -0.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 106992894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).