4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine

C11H19NO — CID 114404453

IUPAC4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COC2CCCC2)CCNC1
InChIInChI=1S/C11H19NO/c1-2-4-11(3-1)13-9-10-5-7-12-8-6-10/h5,11-12H,1-4,6-9H2
InChIKeyRDZFSUWWRMOTFG-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.87
Rot. Bonds3

About 4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine

4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404453) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404453
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COC2CCCC2)CCNC1
InChIInChI=1S/C11H19NO/c1-2-4-11(3-1)13-9-10-5-7-12-8-6-10/h5,11-12H,1-4,6-9H2
InChIKeyRDZFSUWWRMOTFG-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.87
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

3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
CID 146300663
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-(Oxolan-2-ylmethylidene)piperidine
CID 79879663
3-((Tetrahydrofuran-2-yl)methylene)pyrrolidine
CID 79879799
(3E)-3-(oxolan-2-ylmethylidene)piperidine
CID 79880294
(2Z)-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
CID 82836809
(2E)-2-(oxolan-2-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 82836810
(2E)-N-tert-butyl-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82836926
(2Z)-N-(2-methylpropyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82837038
(2Z)-N-ethyl-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
CID 82837152
(2Z)-3-methyl-2-(oxolan-2-ylmethylidene)-N-propylbutan-1-amine
CID 82837258

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404453) is 4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine is C1=C(COC2CCCC2)CCNC1.
What is the InChIKey of 4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is RDZFSUWWRMOTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-4-11(3-1)13-9-10-5-7-12-8-6-10/h5,11-12H,1-4,6-9H2.
What are the key properties of 4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine?
4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 181.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentyloxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).