ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate

C15H22N2O2 — CID 1472673

IUPACethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)11-12-7-9-17(10-8-12)14-5-3-13(16)4-6-14/h3-6,12H,2,7-11,16H2,1H3
InChIKeyWIKWPYFFKLRAIF-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds4

About ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate

ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate (PubChem CID 1472673) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate
PubChem CID1472673
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nameethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate
SMILESCCOC(=O)CC1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-2-19-15(18)11-12-7-9-17(10-8-12)14-5-3-13(16)4-6-14/h3-6,12H,2,7-11,16H2,1H3
InChIKeyWIKWPYFFKLRAIF-UHFFFAOYSA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate (CID 1472673) is ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate is CCOC(=O)CC1CCN(c2ccc(N)cc2)CC1.
What is the InChIKey of ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate?
The InChIKey is WIKWPYFFKLRAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-19-15(18)11-12-7-9-17(10-8-12)14-5-3-13(16)4-6-14/h3-6,12H,2,7-11,16H2,1H3.
What are the key properties of ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate?
ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate has a molecular weight of 262.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-aminophenyl)piperidin-4-yl]acetate is sourced from PubChem (CID 1472673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).