4-pentoxy-1,2,3,6-tetrahydropyridine

C10H19NO — CID 70542377

IUPAC4-pentoxy-1,2,3,6-tetrahydropyridine
SMILESCCCCCOC1=CCNCC1
InChIInChI=1S/C10H19NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h5,11H,2-4,6-9H2,1H3
InChIKeyRQVGKRBROKFYGR-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds5

About 4-pentoxy-1,2,3,6-tetrahydropyridine

4-pentoxy-1,2,3,6-tetrahydropyridine (PubChem CID 70542377) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-pentoxy-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-pentoxy-1,2,3,6-tetrahydropyridine
PubChem CID70542377
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-pentoxy-1,2,3,6-tetrahydropyridine
SMILESCCCCCOC1=CCNCC1
InChIInChI=1S/C10H19NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h5,11H,2-4,6-9H2,1H3
InChIKeyRQVGKRBROKFYGR-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pentoxy-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-pentoxy-1,2,3,6-tetrahydropyridine (CID 70542377) is 4-pentoxy-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-pentoxy-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-pentoxy-1,2,3,6-tetrahydropyridine is CCCCCOC1=CCNCC1.
What is the InChIKey of 4-pentoxy-1,2,3,6-tetrahydropyridine?
The InChIKey is RQVGKRBROKFYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-9-12-10-5-7-11-8-6-10/h5,11H,2-4,6-9H2,1H3.
What are the key properties of 4-pentoxy-1,2,3,6-tetrahydropyridine?
4-pentoxy-1,2,3,6-tetrahydropyridine has a molecular weight of 169.27 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 70542377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).