4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine

C16H23NO2 — CID 61485190

IUPAC4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCCOc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C16H23NO2/c1-13(2)18-11-12-19-16-5-3-14(4-6-16)15-7-9-17-10-8-15/h3-7,13,17H,8-12H2,1-2H3
InChIKeyUFVSQIJPSJSXHU-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.87
Rot. Bonds6

About 4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine

4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 61485190) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID61485190
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCCOc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C16H23NO2/c1-13(2)18-11-12-19-16-5-3-14(4-6-16)15-7-9-17-10-8-15/h3-7,13,17H,8-12H2,1-2H3
InChIKeyUFVSQIJPSJSXHU-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine (CID 61485190) is 4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine is CC(C)OCCOc1ccc(C2=CCNCC2)cc1.
What is the InChIKey of 4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is UFVSQIJPSJSXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)18-11-12-19-16-5-3-14(4-6-16)15-7-9-17-10-8-15/h3-7,13,17H,8-12H2,1-2H3.
What are the key properties of 4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine?
4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 261.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 61485190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).