ethane;3-(ethoxymethyl)-1-ethylpiperidine

C12H27NO — CID 144871592

IUPACethane;3-(ethoxymethyl)-1-ethylpiperidine
SMILESCC.CCOCC1CCCN(CC)C1
InChIInChI=1S/C10H21NO.C2H6/c1-3-11-7-5-6-10(8-11)9-12-4-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyDANHMXWAUJZRRR-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.78
Rot. Bonds4

About ethane;3-(ethoxymethyl)-1-ethylpiperidine

ethane;3-(ethoxymethyl)-1-ethylpiperidine (PubChem CID 144871592) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is ethane;3-(ethoxymethyl)-1-ethylpiperidine.

Molecular Properties

Compound Nameethane;3-(ethoxymethyl)-1-ethylpiperidine
PubChem CID144871592
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Nameethane;3-(ethoxymethyl)-1-ethylpiperidine
SMILESCC.CCOCC1CCCN(CC)C1
InChIInChI=1S/C10H21NO.C2H6/c1-3-11-7-5-6-10(8-11)9-12-4-2;1-2/h10H,3-9H2,1-2H3;1-2H3
InChIKeyDANHMXWAUJZRRR-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine
CID 173019176
4-[3-(ethoxymethyl)piperidin-1-yl]butan-1-ol
CID 111148113
cis-(1S,2R)-2-[[(3R)-3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;hydrochloride
CID 69043221
ethane;(1-ethylpiperidin-3-yl)methyl sulfamate
CID 169177383
(3R)-1-ethyl-3-(2-methoxyethyl)piperidine
CID 173019182
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900572
(3R)-3-(ethoxymethyl)-1-methylpyrrolidine
CID 58134293
2-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]ethanamine
CID 129322519
2-[3-(ethoxymethyl)pyrrolidin-1-yl]ethanol
CID 121201448

Frequently Asked Questions

What is the IUPAC name of ethane;3-(ethoxymethyl)-1-ethylpiperidine?
The IUPAC name of ethane;3-(ethoxymethyl)-1-ethylpiperidine (CID 144871592) is ethane;3-(ethoxymethyl)-1-ethylpiperidine.
What is the SMILES notation for ethane;3-(ethoxymethyl)-1-ethylpiperidine?
The canonical SMILES for ethane;3-(ethoxymethyl)-1-ethylpiperidine is CC.CCOCC1CCCN(CC)C1.
What is the InChIKey of ethane;3-(ethoxymethyl)-1-ethylpiperidine?
The InChIKey is DANHMXWAUJZRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C2H6/c1-3-11-7-5-6-10(8-11)9-12-4-2;1-2/h10H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(ethoxymethyl)-1-ethylpiperidine?
ethane;3-(ethoxymethyl)-1-ethylpiperidine has a molecular weight of 201.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(ethoxymethyl)-1-ethylpiperidine is sourced from PubChem (CID 144871592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).