ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate

C13H26N2O3 — CID 138693431

IUPACethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CCCCCO)CC1
InChIInChI=1S/C13H26N2O3/c1-2-18-13(17)12-15-9-7-14(8-10-15)6-4-3-5-11-16/h16H,2-12H2,1H3
InChIKeyVWNATRYSAYBSSJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.33
Rot. Bonds8

About ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate

ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate (PubChem CID 138693431) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate
PubChem CID138693431
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CCCCCO)CC1
InChIInChI=1S/C13H26N2O3/c1-2-18-13(17)12-15-9-7-14(8-10-15)6-4-3-5-11-16/h16H,2-12H2,1H3
InChIKeyVWNATRYSAYBSSJ-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
CID 21509499
2-[4-(Oxolan-2-ylmethyl)piperazin-1-yl]acetic acid
CID 43397377
Ethyl 2-[3-(hydroxymethyl)piperidin-1-yl]acetate
CID 43403657
2-(4-((Tetrahydrofuran-2-yl)methyl)piperazin-1-yl)acetic acid hydrochloride
CID 67009184
Ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate
CID 138693819
Hexyl 2-[4-(2-hydroxyethyl)piperazin-1-yl]acetate
CID 145404502
5-(Methylamino)pentyl 2-(4-methylpiperazin-1-yl)acetate
CID 156452427
Ethyl 2-[(2-ethoxy-2-oxoethyl)-(5-hydroxypentyl)amino]acetate
CID 168943774
Ethyl 2-[3-(hydroxymethyl)piperidin-1-yl]acetate;hydrobromide
CID 173543616
Methyl 2-[3-(hydroxymethyl)piperidin-1-yl]acetate
CID 43403658
2-[2-Methoxyethyl(2-piperidin-1-ylethyl)amino]acetic acid
CID 54968954
2-{4-[(Oxolan-2-yl)methyl]piperazin-1-yl}propanoic acid
CID 55091476

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate (CID 138693431) is ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(CCCCCO)CC1.
What is the InChIKey of ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate?
The InChIKey is VWNATRYSAYBSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-18-13(17)12-15-9-7-14(8-10-15)6-4-3-5-11-16/h16H,2-12H2,1H3.
What are the key properties of ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate?
ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate has a molecular weight of 258.36 g/mol, XLogP of 0.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(5-hydroxypentyl)piperazin-1-yl]acetate is sourced from PubChem (CID 138693431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).