methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate

C14H28N2O3 — CID 113252132

IUPACmethyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCCCCCO)CC1
InChIInChI=1S/C14H28N2O3/c1-19-14(18)6-8-16-11-9-15(10-12-16)7-4-2-3-5-13-17/h17H,2-13H2,1H3
InChIKeyUHAQXMACVAPBFI-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.72
Rot. Bonds9

About methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate

methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate (PubChem CID 113252132) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
PubChem CID113252132
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CCCCCCO)CC1
InChIInChI=1S/C14H28N2O3/c1-19-14(18)6-8-16-11-9-15(10-12-16)7-4-2-3-5-13-17/h17H,2-13H2,1H3
InChIKeyUHAQXMACVAPBFI-UHFFFAOYSA-N
XLogP0.72
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.72
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 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
CID 78918620
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-(6-hydroxyhexyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate (CID 113252132) is methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(CCCCCCO)CC1.
What is the InChIKey of methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate?
The InChIKey is UHAQXMACVAPBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-19-14(18)6-8-16-11-9-15(10-12-16)7-4-2-3-5-13-17/h17H,2-13H2,1H3.
What are the key properties of methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate?
methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate has a molecular weight of 272.39 g/mol, XLogP of 0.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 113252132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).