1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine

C13H25NO2 — CID 66472905

IUPAC1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine
SMILESCCC1CCCCN1CCC1OCCCO1
InChIInChI=1S/C13H25NO2/c1-2-12-6-3-4-8-14(12)9-7-13-15-10-5-11-16-13/h12-13H,2-11H2,1H3
InChIKeyKUKUXOOVACHCCC-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.40
Rot. Bonds4

About 1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine

1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine (PubChem CID 66472905) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine.

Molecular Properties

Compound Name1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine
PubChem CID66472905
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine
SMILESCCC1CCCCN1CCC1OCCCO1
InChIInChI=1S/C13H25NO2/c1-2-12-6-3-4-8-14(12)9-7-13-15-10-5-11-16-13/h12-13H,2-11H2,1H3
InChIKeyKUKUXOOVACHCCC-UHFFFAOYSA-N
XLogP2.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 19604037
(2R)-2-ethyl-1-[2-[(2S)-piperidin-2-yl]ethyl]piperidine
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2-[2-(2-ethylazepan-1-yl)ethyl]-N-methylcyclopentan-1-amine
CID 113441645
1-dodecyl-2-ethylpiperidine
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3-(2-ethylazepan-1-yl)propan-1-amine
CID 112545599
[1-[2-(2-ethylpiperidin-1-yl)ethyl]cyclohexyl]methanamine
CID 113440222
4-[2-(1,3-dioxan-2-yl)ethyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 66475128
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
2-ethyl-1-propylpyrrolidine;hydrochloride
CID 175875106
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CID 62575587

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine?
The IUPAC name of 1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine (CID 66472905) is 1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine.
What is the SMILES notation for 1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine?
The canonical SMILES for 1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine is CCC1CCCCN1CCC1OCCCO1.
What is the InChIKey of 1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine?
The InChIKey is KUKUXOOVACHCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-12-6-3-4-8-14(12)9-7-13-15-10-5-11-16-13/h12-13H,2-11H2,1H3.
What are the key properties of 1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine?
1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine has a molecular weight of 227.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxan-2-yl)ethyl]-2-ethylpiperidine is sourced from PubChem (CID 66472905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).