methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate

C13H26N2O3 — CID 78918620

IUPACmethyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCCCCO)CC1
InChIInChI=1S/C13H26N2O3/c1-18-13(17)5-7-15-10-8-14(9-11-15)6-3-2-4-12-16/h16H,2-12H2,1H3
InChIKeyQJKBGVOZMOTRPS-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.33
Rot. Bonds8

About methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate

methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate (PubChem CID 78918620) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
PubChem CID78918620
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCCCCO)CC1
InChIInChI=1S/C13H26N2O3/c1-18-13(17)5-7-15-10-8-14(9-11-15)6-3-2-4-12-16/h16H,2-12H2,1H3
InChIKeyQJKBGVOZMOTRPS-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'}

Analyze methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
CID 113252132
methyl 3-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]propanoate
CID 115537132
methyl 3-[4-(4-methoxybutyl)piperazin-1-yl]propanoate
CID 112691924
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
ethane;methyl 4-(4-methylpiperazin-1-yl)butanoate
CID 171562662
methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
methyl 14-hydroxytetradecanoate
CID 13245690
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
methyl 3-(4-trimethylsilylpiperazin-1-yl)propanoate
CID 140660761
3-hydroxypropyl 3-(aziridin-1-yl)propanoate
CID 20582016
methyl 4-(azocan-1-yl)butanoate
CID 43377737
methyl 3-[4-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl]piperazin-1-yl]propanoate
CID 169448717

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate (CID 78918620) is methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(CCCCCO)CC1.
What is the InChIKey of methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate?
The InChIKey is QJKBGVOZMOTRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-18-13(17)5-7-15-10-8-14(9-11-15)6-3-2-4-12-16/h16H,2-12H2,1H3.
What are the key properties of methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate?
methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate 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 methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 78918620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).