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

C13H23NO — CID 114404578

IUPAC4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COC2CCCCCC2)CCNC1
InChIInChI=1S/C13H23NO/c1-2-4-6-13(5-3-1)15-11-12-7-9-14-10-8-12/h7,13-14H,1-6,8-11H2
InChIKeyKDPNGSMRRIQOAP-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.65
Rot. Bonds3

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

4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404578) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404578
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COC2CCCCCC2)CCNC1
InChIInChI=1S/C13H23NO/c1-2-4-6-13(5-3-1)15-11-12-7-9-14-10-8-12/h7,13-14H,1-6,8-11H2
InChIKeyKDPNGSMRRIQOAP-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.65
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-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716602
4-(Pentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 102982177
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-Methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404462
4-(Oxan-2-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404469
4-(Octoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404533
4-(Hexoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404535
4-(Octan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404537
4-(Heptoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404539
4-(2-Ethylhexoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404541

Frequently Asked Questions

What is the IUPAC name of 4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404578) is 4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine is C1=C(COC2CCCCCC2)CCNC1.
What is the InChIKey of 4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is KDPNGSMRRIQOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-4-6-13(5-3-1)15-11-12-7-9-14-10-8-12/h7,13-14H,1-6,8-11H2.
What are the key properties of 4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine?
4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 209.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cycloheptyloxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).