methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate

C14H16ClNO2 — CID 70186714

IUPACmethyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate
SMILESCOC(=O)C(=C1CCCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,16H,2-4,9H2,1H3
InChIKeyIYTSTSUDALYBOP-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.00
Rot. Bonds2

About methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate

methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate (PubChem CID 70186714) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate
PubChem CID70186714
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Namemethyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate
SMILESCOC(=O)C(=C1CCCCN1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,16H,2-4,9H2,1H3
InChIKeyIYTSTSUDALYBOP-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
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-(4-chlorophenyl)-2-piperidin-2-ylideneacetate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate (CID 70186714) is methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate is COC(=O)C(=C1CCCCN1)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate?
The InChIKey is IYTSTSUDALYBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,16H,2-4,9H2,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate?
methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate has a molecular weight of 265.74 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-piperidin-2-ylideneacetate is sourced from PubChem (CID 70186714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).