ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate

C13H26N2O3 — CID 138693819

IUPACethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCN(CCO)CC1
InChIInChI=1S/C13H26N2O3/c1-2-18-13(17)5-3-4-6-14-7-9-15(10-8-14)11-12-16/h16H,2-12H2,1H3
InChIKeyLOZQESMSMCVABS-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.33
Rot. Bonds8

About ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate

ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate (PubChem CID 138693819) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate
PubChem CID138693819
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCN(CCO)CC1
InChIInChI=1S/C13H26N2O3/c1-2-18-13(17)5-3-4-6-14-7-9-15(10-8-14)11-12-16/h16H,2-12H2,1H3
InChIKeyLOZQESMSMCVABS-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

Methyl 5-morpholin-4-ylpentanoate;hydrochloride
CID 45261361
4-Methyl-1-piperazinepentanoic acid
CID 14855705
Methyl 5-morpholin-4-ylpentanoate
CID 44333026
5-[(4-Methylpiperazin-1-yl)methyl]oxolan-2-one
CID 5230385
Ethyl 1-(2-hydroxyethyl)piperidine-3-carboxylate
CID 11820137
5-(Morpholin-4-yl)pentanoic acid
CID 13137164
5-(Morpholin-4-yl)pentanoic acid hydrochloride
CID 13137165
Ethyl 5-morpholin-4-ylpentanoate
CID 16097789
Ethyl 5-(piperidin-1-YL)pentanoate
CID 54016816
(R)-1-(2-hydroxyethyl)nipecotic acid ethyl ester
CID 54103225
Ethyl 5-(4-methylpiperazin-1-YL)pentanoate
CID 66915161
5-(4-Butyl-1-methylpiperazin-1-ium-1-yl)pentanoic acid
CID 70330549

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate?
The IUPAC name of ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate (CID 138693819) is ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate.
What is the SMILES notation for ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate?
The canonical SMILES for ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate is CCOC(=O)CCCCN1CCN(CCO)CC1.
What is the InChIKey of ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate?
The InChIKey is LOZQESMSMCVABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-2-18-13(17)5-3-4-6-14-7-9-15(10-8-14)11-12-16/h16H,2-12H2,1H3.
What are the key properties of ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate?
ethyl 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate 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 5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanoate is sourced from PubChem (CID 138693819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).