(3E)-3-(2-ethoxyethylidene)piperidine

C9H17NO — CID 115012070

IUPAC(3E)-3-(2-ethoxyethylidene)piperidine
SMILESCCOC/C=C1\CCCNC1
InChIInChI=1S/C9H17NO/c1-2-11-7-5-9-4-3-6-10-8-9/h5,10H,2-4,6-8H2,1H3/b9-5+
InChIKeyLJEMEWWINQNOOV-WEVVVXLNSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

About (3E)-3-(2-ethoxyethylidene)piperidine

(3E)-3-(2-ethoxyethylidene)piperidine (PubChem CID 115012070) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (3E)-3-(2-ethoxyethylidene)piperidine.

Molecular Properties

Compound Name(3E)-3-(2-ethoxyethylidene)piperidine
PubChem CID115012070
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(3E)-3-(2-ethoxyethylidene)piperidine
SMILESCCOC/C=C1\CCCNC1
InChIInChI=1S/C9H17NO/c1-2-11-7-5-9-4-3-6-10-8-9/h5,10H,2-4,6-8H2,1H3/b9-5+
InChIKeyLJEMEWWINQNOOV-WEVVVXLNSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(3-piperidinylidene)acetate
CID 53410329
Ethyl 2-(3-piperidinylidene)acetate hydrochloride
CID 66570678
2-[(E)-hept-3-en-4-yl]morpholine
CID 68588038
2-Hept-3-en-4-ylmorpholine
CID 68588043
2-[(E)-pent-2-en-2-yl]morpholine
CID 68590208
2-Pent-2-en-2-ylmorpholine
CID 68590213
2-[(E)-hex-3-en-3-yl]morpholine
CID 68590550
2-Hex-3-en-3-ylmorpholine
CID 68590552
4-(4-Methoxybutylidene)piperidine
CID 69628441
(Z)-ethyl 2-(piperidin-3-ylidene)acetate hydrochloride
CID 71305229
4-(2-Methoxyethylidene)piperidine
CID 115011443
5,6,7,8-tetrahydro-3H-pyrano[4,3-c]pyridine
CID 123514732

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-ethoxyethylidene)piperidine?
The IUPAC name of (3E)-3-(2-ethoxyethylidene)piperidine (CID 115012070) is (3E)-3-(2-ethoxyethylidene)piperidine.
What is the SMILES notation for (3E)-3-(2-ethoxyethylidene)piperidine?
The canonical SMILES for (3E)-3-(2-ethoxyethylidene)piperidine is CCOC/C=C1\CCCNC1.
What is the InChIKey of (3E)-3-(2-ethoxyethylidene)piperidine?
The InChIKey is LJEMEWWINQNOOV-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-11-7-5-9-4-3-6-10-8-9/h5,10H,2-4,6-8H2,1H3/b9-5+.
What are the key properties of (3E)-3-(2-ethoxyethylidene)piperidine?
(3E)-3-(2-ethoxyethylidene)piperidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-ethoxyethylidene)piperidine is sourced from PubChem (CID 115012070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).