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

C13H23NO — CID 114404597

IUPAC4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COCC2CCCCC2)CCNC1
InChIInChI=1S/C13H23NO/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h6,12,14H,1-5,7-11H2
InChIKeyUNIKJWNJTAPVID-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds4

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

4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114404597) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID114404597
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine
SMILESC1=C(COCC2CCCCC2)CCNC1
InChIInChI=1S/C13H23NO/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h6,12,14H,1-5,7-11H2
InChIKeyUNIKJWNJTAPVID-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
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-[(1R)-3-(methoxymethyl)cyclohex-3-en-1-yl]-N-propan-2-ylpropan-1-amine
CID 68340934
4-(2-Methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 103283983
[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclohexyl]methanamine
CID 104963658
4-(Cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404451
4-[(5-Methyl-2-propan-2-ylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404456
4-[(4-Methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404461
4-[(2-Methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404462
4-[(2-Ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404466
4-[(3,3,5-Trimethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404529
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

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine (CID 114404597) is 4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine is C1=C(COCC2CCCCC2)CCNC1.
What is the InChIKey of 4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is UNIKJWNJTAPVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-4-12(5-3-1)10-15-11-13-6-8-14-9-7-13/h6,12,14H,1-5,7-11H2.
What are the key properties of 4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine?
4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).