methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate

C14H18ClNO3 — CID 117456058

IUPACmethyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C14H18ClNO3/c1-19-14(18)13(17)11-9-10(15)5-6-12(11)16-7-3-2-4-8-16/h5-6,9,13,17H,2-4,7-8H2,1H3
InChIKeyKDPUOQZAHUCZSW-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.54
Rot. Bonds3

About methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate

methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate (PubChem CID 117456058) has the molecular formula C14H18ClNO3 and a molecular weight of 283.76 g/mol. Its IUPAC name is methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate
PubChem CID117456058
Molecular FormulaC14H18ClNO3
Molecular Weight283.76 g/mol
Exact Mass283.10
IUPAC Namemethyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C14H18ClNO3/c1-19-14(18)13(17)11-9-10(15)5-6-12(11)16-7-3-2-4-8-16/h5-6,9,13,17H,2-4,7-8H2,1H3
InChIKeyKDPUOQZAHUCZSW-UHFFFAOYSA-N
XLogP2.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate (CID 117456058) is methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate?
The InChIKey is KDPUOQZAHUCZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-19-14(18)13(17)11-9-10(15)5-6-12(11)16-7-3-2-4-8-16/h5-6,9,13,17H,2-4,7-8H2,1H3.
What are the key properties of methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate?
methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate has a molecular weight of 283.76 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117456058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).