4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine

C9H17NO — CID 84716602

IUPAC4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCC1=CCNCC1
InChIInChI=1S/C9H17NO/c1-8(2)11-7-9-3-5-10-6-4-9/h3,8,10H,4-7H2,1-2H3
InChIKeyMXEVTJCGXCTMQP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

About 4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine

4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 84716602) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID84716602
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCC1=CCNCC1
InChIInChI=1S/C9H17NO/c1-8(2)11-7-9-3-5-10-6-4-9/h3,8,10H,4-7H2,1-2H3
InChIKeyMXEVTJCGXCTMQP-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(ethoxymethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442213
1-methyl-4-(propoxymethyl)-3,6-dihydro-2H-pyridine
CID 14442218
4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 75481406
4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
4-(1,1,1,3,3,3-Hexafluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102722363
4-(2,2,2-Trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404454
4-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404624
4-(2,2-Difluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404638
4-(4,4,4-Trifluorobutoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404639
4-(3,3,3-Trifluoropropoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404641
1-methyl-4-(propan-2-yloxymethyl)-3,6-dihydro-2H-pyridine
CID 14442220
2-[(E)-pent-2-en-2-yl]morpholine
CID 68590208

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine (CID 84716602) is 4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine is CC(C)OCC1=CCNCC1.
What is the InChIKey of 4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is MXEVTJCGXCTMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)11-7-9-3-5-10-6-4-9/h3,8,10H,4-7H2,1-2H3.
What are the key properties of 4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 84716602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).