cyclododecyl 2-piperidin-1-ylacetate

C19H35NO2 — CID 3753358

IUPACcyclododecyl 2-piperidin-1-ylacetate
SMILESO=C(CN1CCCCC1)OC1CCCCCCCCCCC1
InChIInChI=1S/C19H35NO2/c21-19(17-20-15-11-8-12-16-20)22-18-13-9-6-4-2-1-3-5-7-10-14-18/h18H,1-17H2
InChIKeyAIYPHYUTIQDYMN-UHFFFAOYSA-N
MW309.49 g/mol
LogP4.69
Rot. Bonds3

About cyclododecyl 2-piperidin-1-ylacetate

cyclododecyl 2-piperidin-1-ylacetate (PubChem CID 3753358) has the molecular formula C19H35NO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is cyclododecyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Namecyclododecyl 2-piperidin-1-ylacetate
PubChem CID3753358
Molecular FormulaC19H35NO2
Molecular Weight309.49 g/mol
Exact Mass309.27
IUPAC Namecyclododecyl 2-piperidin-1-ylacetate
SMILESO=C(CN1CCCCC1)OC1CCCCCCCCCCC1
InChIInChI=1S/C19H35NO2/c21-19(17-20-15-11-8-12-16-20)22-18-13-9-6-4-2-1-3-5-7-10-14-18/h18H,1-17H2
InChIKeyAIYPHYUTIQDYMN-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Cyclododecyloxy)-2-oxoethyl]-1-methylpyrrolidinium
CID 16188604
2-(1-Methyl-1-pyrrolidin-1-iumyl)acetic acid cyclododecyl ester
CID 6620919
1-Piperidineacetic acid, decyl ester, hydrochloride
CID 3047187
1-[2-(Dodecyloxy)-2-oxoethyl]-1-methylpiperidin-1-ium chloride
CID 11222189
2,6-Bis(aminoethyl)tetrahydropyran-N,N,N',N'-tetraacetic acid
CID 194438
1-(2-(Cyclododecyloxy)-2-oxoethyl)-1-methylpiperidin-1-ium iodide
CID 44655086
Heptyl dibutylaminoacetate
CID 129820559
11-(Methylpiperidyl)undecyl acetate
CID 3115180
(2-Dodecoxy-2-oxoethyl)-dodecyl-dimethylazanium chloride
CID 131887004
Decyl 2-piperidin-1-ylacetate
CID 3047188
(4,4,6,6,7,7,8,8,9,9,10,10,12,12,13,13,13-Heptadecafluoro-1-morpholin-4-yltridecan-2-yl) acetate
CID 58855465
(4,4,6,6,7,7,8,8,9,9,10,10,11,11,11-Pentadecafluoro-1-morpholin-4-ylundecan-2-yl) acetate
CID 58855508

Frequently Asked Questions

What is the IUPAC name of cyclododecyl 2-piperidin-1-ylacetate?
The IUPAC name of cyclododecyl 2-piperidin-1-ylacetate (CID 3753358) is cyclododecyl 2-piperidin-1-ylacetate.
What is the SMILES notation for cyclododecyl 2-piperidin-1-ylacetate?
The canonical SMILES for cyclododecyl 2-piperidin-1-ylacetate is O=C(CN1CCCCC1)OC1CCCCCCCCCCC1.
What is the InChIKey of cyclododecyl 2-piperidin-1-ylacetate?
The InChIKey is AIYPHYUTIQDYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO2/c21-19(17-20-15-11-8-12-16-20)22-18-13-9-6-4-2-1-3-5-7-10-14-18/h18H,1-17H2.
What are the key properties of cyclododecyl 2-piperidin-1-ylacetate?
cyclododecyl 2-piperidin-1-ylacetate has a molecular weight of 309.49 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 3753358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).