4-(2-methoxyethylidene)piperidine;hydrochloride

C8H16ClNO — CID 126845436

IUPAC4-(2-methoxyethylidene)piperidine;hydrochloride
SMILESCOCC=C1CCNCC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-10-7-4-8-2-5-9-6-3-8;/h4,9H,2-3,5-7H2,1H3;1H
InChIKeyMKVXXJOWEKLDSM-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.36
Rot. Bonds2

About 4-(2-methoxyethylidene)piperidine;hydrochloride

4-(2-methoxyethylidene)piperidine;hydrochloride (PubChem CID 126845436) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 4-(2-methoxyethylidene)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyethylidene)piperidine;hydrochloride
PubChem CID126845436
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name4-(2-methoxyethylidene)piperidine;hydrochloride
SMILESCOCC=C1CCNCC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-10-7-4-8-2-5-9-6-3-8;/h4,9H,2-3,5-7H2,1H3;1H
InChIKeyMKVXXJOWEKLDSM-UHFFFAOYSA-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 4-(2-methoxyethylidene)piperidine;hydrochloride?
The IUPAC name of 4-(2-methoxyethylidene)piperidine;hydrochloride (CID 126845436) is 4-(2-methoxyethylidene)piperidine;hydrochloride.
What is the SMILES notation for 4-(2-methoxyethylidene)piperidine;hydrochloride?
The canonical SMILES for 4-(2-methoxyethylidene)piperidine;hydrochloride is COCC=C1CCNCC1.Cl.
What is the InChIKey of 4-(2-methoxyethylidene)piperidine;hydrochloride?
The InChIKey is MKVXXJOWEKLDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-10-7-4-8-2-5-9-6-3-8;/h4,9H,2-3,5-7H2,1H3;1H.
What are the key properties of 4-(2-methoxyethylidene)piperidine;hydrochloride?
4-(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 4-(2-methoxyethylidene)piperidine;hydrochloride is sourced from PubChem (CID 126845436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).