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

C11H21NO2 — CID 114404468

IUPAC4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCCOCC1=CCNCC1
InChIInChI=1S/C11H21NO2/c1-10(2)14-8-7-13-9-11-3-5-12-6-4-11/h3,10,12H,4-9H2,1-2H3
InChIKeyPUDLBKWXOPKQMC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.35
Rot. Bonds6

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

4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404468) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404468
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESCC(C)OCCOCC1=CCNCC1
InChIInChI=1S/C11H21NO2/c1-10(2)14-8-7-13-9-11-3-5-12-6-4-11/h3,10,12H,4-9H2,1-2H3
InChIKeyPUDLBKWXOPKQMC-UHFFFAOYSA-N
XLogP1.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 14442217
4-(1,1,1-Trifluoropropan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404624
(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-diene
CID 144515548
(E)-N-ethyl-5-methoxy-3-methylhex-3-en-1-amine
CID 156192024
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridin-1-ium
CID 163465648
3-[(4-methyl-3,6-dihydro-2H-pyran-6-yl)methyl]-2,5-dihydro-1H-pyrrole
CID 167165142
4-methyl-5-propan-2-yloxy-N-propylpent-3-en-1-amine
CID 79597963
N-ethyl-4-methyl-5-propan-2-yloxypent-3-en-1-amine
CID 79599100
4-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716253
5-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716601
4-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
5-(2-Propan-2-yloxyethyl)-1,2,3,6-tetrahydropyridine
CID 84717347

Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404468) is 4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine is CC(C)OCCOCC1=CCNCC1.
What is the InChIKey of 4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is PUDLBKWXOPKQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2)14-8-7-13-9-11-3-5-12-6-4-11/h3,10,12H,4-9H2,1-2H3.
What are the key properties of 4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine?
4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 199.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-yloxyethoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).