(1-methylpiperidin-4-ylidene)methyl acetate

C9H15NO2 — CID 20756953

IUPAC(1-methylpiperidin-4-ylidene)methyl acetate
SMILESCC(=O)OC=C1CCN(C)CC1
InChIInChI=1S/C9H15NO2/c1-8(11)12-7-9-3-5-10(2)6-4-9/h7H,3-6H2,1-2H3
InChIKeyBJTAWSWNMQBIAO-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.16
Rot. Bonds1

About (1-methylpiperidin-4-ylidene)methyl acetate

(1-methylpiperidin-4-ylidene)methyl acetate (PubChem CID 20756953) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1-methylpiperidin-4-ylidene)methyl acetate.

Molecular Properties

Compound Name(1-methylpiperidin-4-ylidene)methyl acetate
PubChem CID20756953
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1-methylpiperidin-4-ylidene)methyl acetate
SMILESCC(=O)OC=C1CCN(C)CC1
InChIInChI=1S/C9H15NO2/c1-8(11)12-7-9-3-5-10(2)6-4-9/h7H,3-6H2,1-2H3
InChIKeyBJTAWSWNMQBIAO-UHFFFAOYSA-N
XLogP1.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (1-methylpiperidin-4-ylidene)methyl acetate?
The IUPAC name of (1-methylpiperidin-4-ylidene)methyl acetate (CID 20756953) is (1-methylpiperidin-4-ylidene)methyl acetate.
What is the SMILES notation for (1-methylpiperidin-4-ylidene)methyl acetate?
The canonical SMILES for (1-methylpiperidin-4-ylidene)methyl acetate is CC(=O)OC=C1CCN(C)CC1.
What is the InChIKey of (1-methylpiperidin-4-ylidene)methyl acetate?
The InChIKey is BJTAWSWNMQBIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(11)12-7-9-3-5-10(2)6-4-9/h7H,3-6H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-ylidene)methyl acetate?
(1-methylpiperidin-4-ylidene)methyl acetate has a molecular weight of 169.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-ylidene)methyl acetate is sourced from PubChem (CID 20756953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).