3-methoxy-5-methylidenepiperidine

C7H13NO — CID 90772001

IUPAC3-methoxy-5-methylidenepiperidine
SMILESC=C1CNCC(OC)C1
InChIInChI=1S/C7H13NO/c1-6-3-7(9-2)5-8-4-6/h7-8H,1,3-5H2,2H3
InChIKeyCQTVOXXFJPJEFR-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds1

About 3-methoxy-5-methylidenepiperidine

3-methoxy-5-methylidenepiperidine (PubChem CID 90772001) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-methoxy-5-methylidenepiperidine.

Molecular Properties

Compound Name3-methoxy-5-methylidenepiperidine
PubChem CID90772001
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-methoxy-5-methylidenepiperidine
SMILESC=C1CNCC(OC)C1
InChIInChI=1S/C7H13NO/c1-6-3-7(9-2)5-8-4-6/h7-8H,1,3-5H2,2H3
InChIKeyCQTVOXXFJPJEFR-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methylidenepiperidin-3-ol
CID 53700633
3-Ethoxy-5-methylidenepiperidine
CID 91444845
2-(2-Methylprop-2-enyl)morpholine
CID 91553690
3-Methoxy-2-methyl-5-methylidenepiperidine
CID 123429567
2,3-Dimethoxy-5-methylidenepiperidine
CID 123941739
3-Methoxy-4-methylidenepiperidine
CID 141842242
N-ethyl-2-methyl-1-(4-methylmorpholin-2-yl)prop-2-en-1-amine
CID 79177326
2-methyl-1-(4-methylmorpholin-2-yl)-N-propylprop-2-en-1-amine
CID 79177542
N,2-dimethyl-1-(4-methylmorpholin-2-yl)prop-2-en-1-amine
CID 79180294
2-methyl-N-propyl-1-(4-propylmorpholin-2-yl)prop-2-en-1-amine
CID 79657333
N,2-dimethyl-1-(4-propylmorpholin-2-yl)prop-2-en-1-amine
CID 79657934
N-ethyl-2-methyl-1-(4-propylmorpholin-2-yl)prop-2-en-1-amine
CID 79658255

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methylidenepiperidine?
The IUPAC name of 3-methoxy-5-methylidenepiperidine (CID 90772001) is 3-methoxy-5-methylidenepiperidine.
What is the SMILES notation for 3-methoxy-5-methylidenepiperidine?
The canonical SMILES for 3-methoxy-5-methylidenepiperidine is C=C1CNCC(OC)C1.
What is the InChIKey of 3-methoxy-5-methylidenepiperidine?
The InChIKey is CQTVOXXFJPJEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-3-7(9-2)5-8-4-6/h7-8H,1,3-5H2,2H3.
What are the key properties of 3-methoxy-5-methylidenepiperidine?
3-methoxy-5-methylidenepiperidine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methylidenepiperidine is sourced from PubChem (CID 90772001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).