2-piperidin-2-ylethyl 2-aminobenzoate

C14H20N2O2 — CID 6875

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IUPAC2-piperidin-2-ylethyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCCC1CCCCN1
InChIInChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(17)18-10-8-11-5-3-4-9-16-11/h1-2,6-7,11,16H,3-5,8-10,15H2
InChIKeyBMIJYAZXNZEMLI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds4

About 2-piperidin-2-ylethyl 2-aminobenzoate

2-piperidin-2-ylethyl 2-aminobenzoate (PubChem CID 6875) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-piperidin-2-ylethyl 2-aminobenzoate.

Molecular Properties

Compound Name2-piperidin-2-ylethyl 2-aminobenzoate
PubChem CID6875
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-piperidin-2-ylethyl 2-aminobenzoate
SMILESNc1ccccc1C(=O)OCCC1CCCCN1
InChIInChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(17)18-10-8-11-5-3-4-9-16-11/h1-2,6-7,11,16H,3-5,8-10,15H2
InChIKeyBMIJYAZXNZEMLI-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl Anthranilate
CID 8635
Methyl N-methylanthranilate
CID 6826
Linalyl anthranilate
CID 23535
Cinnamyl Anthranilate
CID 5284369
Butacaine
CID 2480
Ethyl 2-aminobenzoate
CID 6877
Butyl anthranilate
CID 24433
Phenethyl anthranilate
CID 8615
Allyl anthranilate
CID 24116
Isobutyl anthranilate
CID 24515
Methyl n-acetylanthranilate
CID 17623
Cyclohexyl anthranilate
CID 24510

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-ylethyl 2-aminobenzoate?
The IUPAC name of 2-piperidin-2-ylethyl 2-aminobenzoate (CID 6875) is 2-piperidin-2-ylethyl 2-aminobenzoate.
What is the SMILES notation for 2-piperidin-2-ylethyl 2-aminobenzoate?
The canonical SMILES for 2-piperidin-2-ylethyl 2-aminobenzoate is Nc1ccccc1C(=O)OCCC1CCCCN1.
What is the InChIKey of 2-piperidin-2-ylethyl 2-aminobenzoate?
The InChIKey is BMIJYAZXNZEMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13-7-2-1-6-12(13)14(17)18-10-8-11-5-3-4-9-16-11/h1-2,6-7,11,16H,3-5,8-10,15H2.
What are the key properties of 2-piperidin-2-ylethyl 2-aminobenzoate?
2-piperidin-2-ylethyl 2-aminobenzoate has a molecular weight of 248.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-ylethyl 2-aminobenzoate is sourced from PubChem (CID 6875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).