2,6-dimethylidene-1-(1-phenylethoxy)piperidine

C15H19NO — CID 89020903

IUPAC2,6-dimethylidene-1-(1-phenylethoxy)piperidine
SMILESC=C1CCCC(=C)N1OC(C)c1ccccc1
InChIInChI=1S/C15H19NO/c1-12-8-7-9-13(2)16(12)17-14(3)15-10-5-4-6-11-15/h4-6,10-11,14H,1-2,7-9H2,3H3
InChIKeyCSBMLMCWONIINZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP4.19
Rot. Bonds3

About 2,6-dimethylidene-1-(1-phenylethoxy)piperidine

2,6-dimethylidene-1-(1-phenylethoxy)piperidine (PubChem CID 89020903) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,6-dimethylidene-1-(1-phenylethoxy)piperidine.

Molecular Properties

Compound Name2,6-dimethylidene-1-(1-phenylethoxy)piperidine
PubChem CID89020903
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2,6-dimethylidene-1-(1-phenylethoxy)piperidine
SMILESC=C1CCCC(=C)N1OC(C)c1ccccc1
InChIInChI=1S/C15H19NO/c1-12-8-7-9-13(2)16(12)17-14(3)15-10-5-4-6-11-15/h4-6,10-11,14H,1-2,7-9H2,3H3
InChIKeyCSBMLMCWONIINZ-UHFFFAOYSA-N
XLogP4.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylethoxy)piperidin-4-ol
CID 141020103
methyl(1-phenylethoxy)phosphinic acid
CID 154330211
dimethyl (2R,6R)-2,6-dimethyl-1-(1-phenylethoxy)piperidine-2,6-dicarboxylate
CID 101274504
3,9-bis(1-phenylethoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 87909825
2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine
CID 71391438
(2S,6R)-2,6-diethyl-1-(1-phenylethoxy)-2,6-bis(phenylmethoxymethyl)piperidine
CID 101274521
2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one
CID 71374560
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
trimethyl(1-phenylethoxy)silane
CID 519015
1-(disulfanyloxy)ethylbenzene
CID 139459005
tris[2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidin-4-yl] phosphite
CID 54125950
2,2,6,6-tetramethyl-4-nitroso-1-(1-phenylethoxy)piperidine
CID 91502421

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylidene-1-(1-phenylethoxy)piperidine?
The IUPAC name of 2,6-dimethylidene-1-(1-phenylethoxy)piperidine (CID 89020903) is 2,6-dimethylidene-1-(1-phenylethoxy)piperidine.
What is the SMILES notation for 2,6-dimethylidene-1-(1-phenylethoxy)piperidine?
The canonical SMILES for 2,6-dimethylidene-1-(1-phenylethoxy)piperidine is C=C1CCCC(=C)N1OC(C)c1ccccc1.
What is the InChIKey of 2,6-dimethylidene-1-(1-phenylethoxy)piperidine?
The InChIKey is CSBMLMCWONIINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-12-8-7-9-13(2)16(12)17-14(3)15-10-5-4-6-11-15/h4-6,10-11,14H,1-2,7-9H2,3H3.
What are the key properties of 2,6-dimethylidene-1-(1-phenylethoxy)piperidine?
2,6-dimethylidene-1-(1-phenylethoxy)piperidine has a molecular weight of 229.32 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylidene-1-(1-phenylethoxy)piperidine is sourced from PubChem (CID 89020903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).