(4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine

C9H17NO — CID 59049777

IUPAC(4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine
SMILESCO/C=C1\CCN(C)CC1C
InChIInChI=1S/C9H17NO/c1-8-6-10(2)5-4-9(8)7-11-3/h7-8H,4-6H2,1-3H3/b9-7+
InChIKeyARXBUFBSUVOZFK-VQHVLOKHSA-N
MW155.24 g/mol
LogP1.49
Rot. Bonds1

About (4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine

(4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine (PubChem CID 59049777) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine.

Molecular Properties

Compound Name(4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine
PubChem CID59049777
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine
SMILESCO/C=C1\CCN(C)CC1C
InChIInChI=1S/C9H17NO/c1-8-6-10(2)5-4-9(8)7-11-3/h7-8H,4-6H2,1-3H3/b9-7+
InChIKeyARXBUFBSUVOZFK-VQHVLOKHSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine?
The IUPAC name of (4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine (CID 59049777) is (4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine.
What is the SMILES notation for (4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine?
The canonical SMILES for (4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine is CO/C=C1\CCN(C)CC1C.
What is the InChIKey of (4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine?
The InChIKey is ARXBUFBSUVOZFK-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H17NO/c1-8-6-10(2)5-4-9(8)7-11-3/h7-8H,4-6H2,1-3H3/b9-7+.
What are the key properties of (4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine?
(4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine has a molecular weight of 155.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(methoxymethylidene)-1,3-dimethylpiperidine is sourced from PubChem (CID 59049777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).