methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate

C14H23NO2 — CID 71383662

IUPACmethyl 2-(3-piperidin-1-ylcyclohexylidene)acetate
SMILESCOC(=O)C=C1CCCC(N2CCCCC2)C1
InChIInChI=1S/C14H23NO2/c1-17-14(16)11-12-6-5-7-13(10-12)15-8-3-2-4-9-15/h11,13H,2-10H2,1H3
InChIKeyHGLVYVJHABBRRZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.51
Rot. Bonds2

About methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate

methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate (PubChem CID 71383662) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate.

Molecular Properties

Compound Namemethyl 2-(3-piperidin-1-ylcyclohexylidene)acetate
PubChem CID71383662
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Namemethyl 2-(3-piperidin-1-ylcyclohexylidene)acetate
SMILESCOC(=O)C=C1CCCC(N2CCCCC2)C1
InChIInChI=1S/C14H23NO2/c1-17-14(16)11-12-6-5-7-13(10-12)15-8-3-2-4-9-15/h11,13H,2-10H2,1H3
InChIKeyHGLVYVJHABBRRZ-UHFFFAOYSA-N
XLogP2.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate?
The IUPAC name of methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate (CID 71383662) is methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate.
What is the SMILES notation for methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate?
The canonical SMILES for methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate is COC(=O)C=C1CCCC(N2CCCCC2)C1.
What is the InChIKey of methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate?
The InChIKey is HGLVYVJHABBRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-17-14(16)11-12-6-5-7-13(10-12)15-8-3-2-4-9-15/h11,13H,2-10H2,1H3.
What are the key properties of methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate?
methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate has a molecular weight of 237.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-piperidin-1-ylcyclohexylidene)acetate is sourced from PubChem (CID 71383662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).