4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine

C13H23NO — CID 114404461

IUPAC4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCC1CCC(OCC2=CCNCC2)CC1
InChIInChI=1S/C13H23NO/c1-11-2-4-13(5-3-11)15-10-12-6-8-14-9-7-12/h6,11,13-14H,2-5,7-10H2,1H3
InChIKeyZHXSHQQXMWYXDV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds3

About 4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine

4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 114404461) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
PubChem CID114404461
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCC1CCC(OCC2=CCNCC2)CC1
InChIInChI=1S/C13H23NO/c1-11-2-4-13(5-3-11)15-10-12-6-8-14-9-7-12/h6,11,13-14H,2-5,7-10H2,1H3
InChIKeyZHXSHQQXMWYXDV-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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

4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyran-2-yl)propan-2-yl]-1,2,3,6-tetrahydropyridine
CID 156075396
4-[1-(4-tert-butyl-3,6-dihydro-2H-pyran-6-yl)-2-methylpropan-2-yl]-1,2,3,6-tetrahydropyridine
CID 156352881
(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
CID 82836927
(E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82838511
(E)-2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
CID 82838947
(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine
CID 82839275
4-(2-Methylpentoxymethyl)-1,2,3,6-tetrahydropyridine
CID 103283983
2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
CID 113342761
4-(Cyclohexyloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404451
4-(4-Methylpentan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404455
4-[(5-Methyl-2-propan-2-ylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404456
4-[(2-Methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404462

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine (CID 114404461) is 4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine is CC1CCC(OCC2=CCNCC2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is ZHXSHQQXMWYXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-2-4-13(5-3-11)15-10-12-6-8-14-9-7-12/h6,11,13-14H,2-5,7-10H2,1H3.
What are the key properties of 4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).