4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine

C12H21NO2 — CID 114404469

IUPAC4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COCC2CCCCO2)CCNC1
InChIInChI=1S/C12H21NO2/c1-2-8-15-12(3-1)10-14-9-11-4-6-13-7-5-11/h4,12-13H,1-3,5-10H2
InChIKeyHXAQOXFSSDQRGP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds4

About 4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine

4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404469) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404469
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COCC2CCCCO2)CCNC1
InChIInChI=1S/C12H21NO2/c1-2-8-15-12(3-1)10-14-9-11-4-6-13-7-5-11/h4,12-13H,1-3,5-10H2
InChIKeyHXAQOXFSSDQRGP-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102982177
4-(1-Ethoxypropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 103488712
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(oxan-2-yl)ethanamine
CID 103992783
4-(Cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404451
4-(Cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404453
4-(2-Methoxyethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404463
4-(2-Ethoxyethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404464
4-(2-Propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404468
4-(Oxolan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404470
4-(2-Butoxyethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404534
4-(Hexoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404535
4-(Octan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404537

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404469) is 4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine is C1=C(COCC2CCCCO2)CCNC1.
What is the InChIKey of 4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is HXAQOXFSSDQRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-8-15-12(3-1)10-14-9-11-4-6-13-7-5-11/h4,12-13H,1-3,5-10H2.
What are the key properties of 4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).