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

C16H23NO2 — CID 65176251

IUPAC4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCCOCCCOc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-18-12-3-13-19-16-6-4-14(5-7-16)15-8-10-17-11-9-15/h4-8,17H,2-3,9-13H2,1H3
InChIKeyHIIDESDAHDCCNM-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.87
Rot. Bonds7

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

4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 65176251) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine
PubChem CID65176251
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine
SMILESCCOCCCOc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C16H23NO2/c1-2-18-12-3-13-19-16-6-4-14(5-7-16)15-8-10-17-11-9-15/h4-8,17H,2-3,9-13H2,1H3
InChIKeyHIIDESDAHDCCNM-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
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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Related Compounds

2-[2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]ethoxy]ethanol
CID 61070146
4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 61485190
2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol
CID 79360586
4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 69137569
N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
CID 43309518
N-cyclopropyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
CID 61488440
4-(3-ethoxypropoxy)aniline
CID 43365878
4-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,2,3,6-tetrahydropyridine
CID 82865684
3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine
CID 115981883
4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine
CID 18070580
4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
CID 23081381
1-butoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 4306080

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine (CID 65176251) is 4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine is CCOCCCOc1ccc(C2=CCNCC2)cc1.
What is the InChIKey of 4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is HIIDESDAHDCCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-18-12-3-13-19-16-6-4-14(5-7-16)15-8-10-17-11-9-15/h4-8,17H,2-3,9-13H2,1H3.
What are the key properties of 4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine?
4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 261.36 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 65176251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).