(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine

C11H23NO — CID 173019176

IUPAC(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine
SMILESCCOCC[C@@H]1CCCN(CC)C1
InChIInChI=1S/C11H23NO/c1-3-12-8-5-6-11(10-12)7-9-13-4-2/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyFDCUKGHTISKQIT-NSHDSACASA-N
MW185.31 g/mol
LogP2.14
Rot. Bonds5

About (3S)-3-(2-ethoxyethyl)-1-ethylpiperidine

(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine (PubChem CID 173019176) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3S)-3-(2-ethoxyethyl)-1-ethylpiperidine.

Molecular Properties

Compound Name(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine
PubChem CID173019176
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine
SMILESCCOCC[C@@H]1CCCN(CC)C1
InChIInChI=1S/C11H23NO/c1-3-12-8-5-6-11(10-12)7-9-13-4-2/h11H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyFDCUKGHTISKQIT-NSHDSACASA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-ethyl-3-(2-methoxyethyl)piperidine
CID 173019182
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
ethane;3-(ethoxymethyl)-1-ethylpiperidine
CID 144871592
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
(2R)-2-(2-ethoxyethoxy)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]propanamide
CID 95161072
2-(1-ethylpiperidin-3-yl)acetonitrile
CID 83914081
(3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine
CID 39733025
(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine
CID 11789881
1-(2-butoxyethyl)-3-(2-chloroethyl)piperidine
CID 63388194
1-ethyl-3-propylpyrrolidine;hydrochloride
CID 175849509
1-(2-ethoxyethyl)-3-fluoropiperidine
CID 177032761

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-ethoxyethyl)-1-ethylpiperidine?
The IUPAC name of (3S)-3-(2-ethoxyethyl)-1-ethylpiperidine (CID 173019176) is (3S)-3-(2-ethoxyethyl)-1-ethylpiperidine.
What is the SMILES notation for (3S)-3-(2-ethoxyethyl)-1-ethylpiperidine?
The canonical SMILES for (3S)-3-(2-ethoxyethyl)-1-ethylpiperidine is CCOCC[C@@H]1CCCN(CC)C1.
What is the InChIKey of (3S)-3-(2-ethoxyethyl)-1-ethylpiperidine?
The InChIKey is FDCUKGHTISKQIT-NSHDSACASA-N. The full InChI is InChI=1S/C11H23NO/c1-3-12-8-5-6-11(10-12)7-9-13-4-2/h11H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-(2-ethoxyethyl)-1-ethylpiperidine?
(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-ethoxyethyl)-1-ethylpiperidine is sourced from PubChem (CID 173019176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).