4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine

C10H19NO — CID 114404530

IUPAC4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCC(C)(C)OCC1=CCNCC1
InChIInChI=1S/C10H19NO/c1-10(2,3)12-8-9-4-6-11-7-5-9/h4,11H,5-8H2,1-3H3
InChIKeySEWZTCDRQWRYBU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine

4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 114404530) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine
PubChem CID114404530
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCC(C)(C)OCC1=CCNCC1
InChIInChI=1S/C10H19NO/c1-10(2,3)12-8-9-4-6-11-7-5-9/h4,11H,5-8H2,1-3H3
InChIKeySEWZTCDRQWRYBU-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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
1-(3,6-dihydro-2H-pyran-4-yl)-N-methylmethanamine
CID 130900413

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine (CID 114404530) is 4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine is CC(C)(C)OCC1=CCNCC1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is SEWZTCDRQWRYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)12-8-9-4-6-11-7-5-9/h4,11H,5-8H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine?
4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxymethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).