5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine

C9H17NO — CID 173435638

IUPAC5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine
SMILESCCCC1C=C(OC)CNC1
InChIInChI=1S/C9H17NO/c1-3-4-8-5-9(11-2)7-10-6-8/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyISEADUXPRYRYRQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.54
Rot. Bonds3

About 5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine

5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine (PubChem CID 173435638) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine
PubChem CID173435638
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine
SMILESCCCC1C=C(OC)CNC1
InChIInChI=1S/C9H17NO/c1-3-4-8-5-9(11-2)7-10-6-8/h5,8,10H,3-4,6-7H2,1-2H3
InChIKeyISEADUXPRYRYRQ-UHFFFAOYSA-N
XLogP1.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine (CID 173435638) is 5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine is CCCC1C=C(OC)CNC1.
What is the InChIKey of 5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine?
The InChIKey is ISEADUXPRYRYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-8-5-9(11-2)7-10-6-8/h5,8,10H,3-4,6-7H2,1-2H3.
What are the key properties of 5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine?
5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine has a molecular weight of 155.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-propyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 173435638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).