ethyl 4-(piperidin-4-ylmethoxy)butanoate

C12H23NO3 — CID 71077908

IUPACethyl 4-(piperidin-4-ylmethoxy)butanoate
SMILESCCOC(=O)CCCOCC1CCNCC1
InChIInChI=1S/C12H23NO3/c1-2-16-12(14)4-3-9-15-10-11-5-7-13-8-6-11/h11,13H,2-10H2,1H3
InChIKeyIOLMIVSIMSHZNO-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.35
Rot. Bonds7

About ethyl 4-(piperidin-4-ylmethoxy)butanoate

ethyl 4-(piperidin-4-ylmethoxy)butanoate (PubChem CID 71077908) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 4-(piperidin-4-ylmethoxy)butanoate.

Molecular Properties

Compound Nameethyl 4-(piperidin-4-ylmethoxy)butanoate
PubChem CID71077908
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 4-(piperidin-4-ylmethoxy)butanoate
SMILESCCOC(=O)CCCOCC1CCNCC1
InChIInChI=1S/C12H23NO3/c1-2-16-12(14)4-3-9-15-10-11-5-7-13-8-6-11/h11,13H,2-10H2,1H3
InChIKeyIOLMIVSIMSHZNO-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(piperidin-4-ylmethoxy)propanoate
CID 83212316
ethyl 4-piperidin-4-ylbutanoate
CID 10631848
acetic acid;ethyl 2-(piperidin-4-ylmethoxy)acetate
CID 131719663
ethyl 6-(piperidin-3-ylmethoxy)hexanoate
CID 83212380
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943
ethyl 3-(azepan-4-yl)propanoate;hydrochloride
CID 126845771
methyl 4-(cyclopropylmethoxy)butanoate
CID 43378160
ethyl 4-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]butanoate
CID 111390553
2-piperidin-4-ylethyl butanoate
CID 174737441
N,N-diethyl-2-(piperidin-4-ylmethoxy)acetamide
CID 39062933
ethyl 4-(azepan-4-ylamino)butanoate
CID 103982256

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(piperidin-4-ylmethoxy)butanoate?
The IUPAC name of ethyl 4-(piperidin-4-ylmethoxy)butanoate (CID 71077908) is ethyl 4-(piperidin-4-ylmethoxy)butanoate.
What is the SMILES notation for ethyl 4-(piperidin-4-ylmethoxy)butanoate?
The canonical SMILES for ethyl 4-(piperidin-4-ylmethoxy)butanoate is CCOC(=O)CCCOCC1CCNCC1.
What is the InChIKey of ethyl 4-(piperidin-4-ylmethoxy)butanoate?
The InChIKey is IOLMIVSIMSHZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-16-12(14)4-3-9-15-10-11-5-7-13-8-6-11/h11,13H,2-10H2,1H3.
What are the key properties of ethyl 4-(piperidin-4-ylmethoxy)butanoate?
ethyl 4-(piperidin-4-ylmethoxy)butanoate has a molecular weight of 229.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(piperidin-4-ylmethoxy)butanoate is sourced from PubChem (CID 71077908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).