ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate

C14H28N2O3 — CID 79736574

IUPACethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCC(OCCCN)CC1
InChIInChI=1S/C14H28N2O3/c1-3-13(14(17)18-4-2)16-9-6-12(7-10-16)19-11-5-8-15/h12-13H,3-11,15H2,1-2H3
InChIKeyFMGZIBXYSZMCER-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.16
Rot. Bonds8

About ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate

ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate (PubChem CID 79736574) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate
PubChem CID79736574
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate
SMILESCCOC(=O)C(CC)N1CCC(OCCCN)CC1
InChIInChI=1S/C14H28N2O3/c1-3-13(14(17)18-4-2)16-9-6-12(7-10-16)19-11-5-8-15/h12-13H,3-11,15H2,1-2H3
InChIKeyFMGZIBXYSZMCER-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate 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

2-[4-(3-aminopropoxy)piperidin-1-yl]butanamide
CID 79736765
ethyl 2-(4-methylpiperidin-1-yl)butanoate
CID 64663481
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119661482
ethyl 2-(4-carbamothioylpiperidin-1-yl)butanoate
CID 64662354
2-[4-(3-aminopropoxy)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 79735407
ethyl 2-[4-(methoxymethyl)piperidin-1-yl]butanoate
CID 64660664
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate
CID 79736925
3-amino-2-(4-ethoxypiperidin-1-yl)propanoic acid
CID 64693139
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate?
The IUPAC name of ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate (CID 79736574) is ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate is CCOC(=O)C(CC)N1CCC(OCCCN)CC1.
What is the InChIKey of ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate?
The InChIKey is FMGZIBXYSZMCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-13(14(17)18-4-2)16-9-6-12(7-10-16)19-11-5-8-15/h12-13H,3-11,15H2,1-2H3.
What are the key properties of ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate?
ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate has a molecular weight of 272.39 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-aminopropoxy)piperidin-1-yl]butanoate is sourced from PubChem (CID 79736574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).