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

C14H25NO — CID 114404466

IUPAC4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCCC1CCCCC1OCC1=CCNCC1
InChIInChI=1S/C14H25NO/c1-2-13-5-3-4-6-14(13)16-11-12-7-9-15-10-8-12/h7,13-15H,2-6,8-11H2,1H3
InChIKeyDDFZTAASTXOROA-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.89
Rot. Bonds4

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

4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 114404466) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
PubChem CID114404466
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
SMILESCCC1CCCCC1OCC1=CCNCC1
InChIInChI=1S/C14H25NO/c1-2-13-5-3-4-6-14(13)16-11-12-7-9-15-10-8-12/h7,13-15H,2-6,8-11H2,1H3
InChIKeyDDFZTAASTXOROA-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.89
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
7-methoxy-N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-amine
CID 177783990
(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
2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
CID 113342761
(3Z)-3-(1-oxaspiro[4.5]decan-2-ylmethylidene)piperidine
CID 113751065
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-[(4-Methylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine
CID 114404461

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine (CID 114404466) is 4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine is CCC1CCCCC1OCC1=CCNCC1.
What is the InChIKey of 4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is DDFZTAASTXOROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-13-5-3-4-6-14(13)16-11-12-7-9-15-10-8-12/h7,13-15H,2-6,8-11H2,1H3.
What are the key properties of 4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine?
4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 223.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylcyclohexyl)oxymethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114404466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).