3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine

C17H25NO2 — CID 117100261

IUPAC3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine
SMILESC=CCCOc1ccc(C2CCCNC2)cc1OCC
InChIInChI=1S/C17H25NO2/c1-3-5-11-20-16-9-8-14(12-17(16)19-4-2)15-7-6-10-18-13-15/h3,8-9,12,15,18H,1,4-7,10-11,13H2,2H3
InChIKeyPGAJVYSPKULSAY-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.51
Rot. Bonds7

About 3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine

3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine (PubChem CID 117100261) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine.

Molecular Properties

Compound Name3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine
PubChem CID117100261
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine
SMILESC=CCCOc1ccc(C2CCCNC2)cc1OCC
InChIInChI=1S/C17H25NO2/c1-3-5-11-20-16-9-8-14(12-17(16)19-4-2)15-7-6-10-18-13-15/h3,8-9,12,15,18H,1,4-7,10-11,13H2,2H3
InChIKeyPGAJVYSPKULSAY-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine 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

3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
2-(2-ethoxy-4-piperidin-3-ylphenoxy)propanamide
CID 117100260
3-(4-butoxy-3-propan-2-yloxyphenyl)piperidine
CID 117100267
3-(3,4-diethoxyphenyl)-5-methylpiperidine
CID 115375240
4-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)butan-2-one
CID 117100282
(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
3-(4-piperidin-3-yl-2-propan-2-yloxyphenoxy)propane-1,2-diol
CID 117100276
4-(3,4-diethoxyphenyl)cyclohexan-1-ol
CID 116989261
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
1-[4-(4-but-3-enoxy-3-fluorophenyl)cyclohexyl]-4-(4-ethoxycyclohexyl)-2,3-difluorobenzene
CID 89429493
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847

Frequently Asked Questions

What is the IUPAC name of 3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine?
The IUPAC name of 3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine (CID 117100261) is 3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine.
What is the SMILES notation for 3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine?
The canonical SMILES for 3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine is C=CCCOc1ccc(C2CCCNC2)cc1OCC.
What is the InChIKey of 3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine?
The InChIKey is PGAJVYSPKULSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-5-11-20-16-9-8-14(12-17(16)19-4-2)15-7-6-10-18-13-15/h3,8-9,12,15,18H,1,4-7,10-11,13H2,2H3.
What are the key properties of 3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine?
3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine has a molecular weight of 275.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine is sourced from PubChem (CID 117100261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).