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

C11H21NO — CID 102982177

IUPAC4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCCCC(C)OCC1=CCNCC1
InChIInChI=1S/C11H21NO/c1-3-4-10(2)13-9-11-5-7-12-8-6-11/h5,10,12H,3-4,6-9H2,1-2H3
InChIKeyJXXNYPCCNXTGMN-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds5

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

4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 102982177) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID102982177
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCCCC(C)OCC1=CCNCC1
InChIInChI=1S/C11H21NO/c1-3-4-10(2)13-9-11-5-7-12-8-6-11/h5,10,12H,3-4,6-9H2,1-2H3
InChIKeyJXXNYPCCNXTGMN-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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-(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
4-(1-methoxyethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 14442221
2-[(E)-pent-2-en-2-yl]morpholine
CID 68590208
2-Pent-2-en-2-ylmorpholine
CID 68590213

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine (CID 102982177) is 4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine is CCCC(C)OCC1=CCNCC1.
What is the InChIKey of 4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is JXXNYPCCNXTGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-10(2)13-9-11-5-7-12-8-6-11/h5,10,12H,3-4,6-9H2,1-2H3.
What are the key properties of 4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine?
4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 102982177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).