2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate

C21H33NO3 — CID 68613442

IUPAC2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate
SMILESCCC(CC)(C(=O)OCCOCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C21H33NO3/c1-3-21(4-2,19-11-7-5-8-12-19)20(23)25-18-17-24-16-15-22-13-9-6-10-14-22/h5,7-8,11-12H,3-4,6,9-10,13-18H2,1-2H3
InChIKeyAJTVPFNTJFALCR-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.79
Rot. Bonds10

About 2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate

2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate (PubChem CID 68613442) has the molecular formula C21H33NO3 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate
PubChem CID68613442
Molecular FormulaC21H33NO3
Molecular Weight347.50 g/mol
Exact Mass347.25
IUPAC Name2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate
SMILESCCC(CC)(C(=O)OCCOCCN1CCCCC1)c1ccccc1
InChIInChI=1S/C21H33NO3/c1-3-21(4-2,19-11-7-5-8-12-19)20(23)25-18-17-24-16-15-22-13-9-6-10-14-22/h5,7-8,11-12H,3-4,6,9-10,13-18H2,1-2H3
InChIKeyAJTVPFNTJFALCR-UHFFFAOYSA-N
XLogP3.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110
2-[2-(dibutylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
CID 68613707
3-(4-methyl-1,4-diazepan-1-yl)propyl 2-hydroxy-2,2-diphenylacetate
CID 134109617
2-[2-(dihexylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate
CID 68615071
2-ethyl-4-morpholin-4-yl-2-phenylbutanamide
CID 18114
methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate
CID 157124650
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
2-(4-methylpiperazin-1-yl)ethyl 2-(3-chlorophenyl)-2-hydroxy-2-phenylacetate;dihydrochloride
CID 134123095
1-(3,3-diphenyl-3-propoxypropyl)piperidine
CID 163484740
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
ethyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-(hydroxymethyl)butanoate
CID 134918623
ethyl 2-ethyl-5-[4-[3-(3-methylphenyl)phenyl]piperazin-1-yl]-2-phenylpentanoate
CID 91085333

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate?
The IUPAC name of 2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate (CID 68613442) is 2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate.
What is the SMILES notation for 2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate?
The canonical SMILES for 2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate is CCC(CC)(C(=O)OCCOCCN1CCCCC1)c1ccccc1.
What is the InChIKey of 2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate?
The InChIKey is AJTVPFNTJFALCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3/c1-3-21(4-2,19-11-7-5-8-12-19)20(23)25-18-17-24-16-15-22-13-9-6-10-14-22/h5,7-8,11-12H,3-4,6,9-10,13-18H2,1-2H3.
What are the key properties of 2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate?
2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate has a molecular weight of 347.50 g/mol, XLogP of 3.79, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethoxy)ethyl 2-ethyl-2-phenylbutanoate is sourced from PubChem (CID 68613442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).