(3E)-3-(2-methoxyethylidene)piperidine;hydrochloride

C8H16ClNO — CID 126845428

IUPAC(3E)-3-(2-methoxyethylidene)piperidine;hydrochloride
SMILESCOC/C=C1\CCCNC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-10-6-4-8-3-2-5-9-7-8;/h4,9H,2-3,5-7H2,1H3;1H/b8-4+;
InChIKeySKCLVGSHSVFAQO-ZFXMFRGYSA-N
MW177.67 g/mol
LogP1.36
Rot. Bonds2

About (3E)-3-(2-methoxyethylidene)piperidine;hydrochloride

(3E)-3-(2-methoxyethylidene)piperidine;hydrochloride (PubChem CID 126845428) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is (3E)-3-(2-methoxyethylidene)piperidine;hydrochloride.

Molecular Properties

Compound Name(3E)-3-(2-methoxyethylidene)piperidine;hydrochloride
PubChem CID126845428
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name(3E)-3-(2-methoxyethylidene)piperidine;hydrochloride
SMILESCOC/C=C1\CCCNC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-10-6-4-8-3-2-5-9-7-8;/h4,9H,2-3,5-7H2,1H3;1H/b8-4+;
InChIKeySKCLVGSHSVFAQO-ZFXMFRGYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2-methoxyethylidene)piperidine;hydrochloride?
The IUPAC name of (3E)-3-(2-methoxyethylidene)piperidine;hydrochloride (CID 126845428) is (3E)-3-(2-methoxyethylidene)piperidine;hydrochloride.
What is the SMILES notation for (3E)-3-(2-methoxyethylidene)piperidine;hydrochloride?
The canonical SMILES for (3E)-3-(2-methoxyethylidene)piperidine;hydrochloride is COC/C=C1\CCCNC1.Cl.
What is the InChIKey of (3E)-3-(2-methoxyethylidene)piperidine;hydrochloride?
The InChIKey is SKCLVGSHSVFAQO-ZFXMFRGYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-10-6-4-8-3-2-5-9-7-8;/h4,9H,2-3,5-7H2,1H3;1H/b8-4+;.
What are the key properties of (3E)-3-(2-methoxyethylidene)piperidine;hydrochloride?
(3E)-3-(2-methoxyethylidene)piperidine;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2-methoxyethylidene)piperidine;hydrochloride is sourced from PubChem (CID 126845428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).