(1-ethylpiperidin-4-yl) 4-aminobenzoate

C14H20N2O2 — CID 3060683

IUPAC(1-ethylpiperidin-4-yl) 4-aminobenzoate
SMILESCCN1CCC(OC(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-16-9-7-13(8-10-16)18-14(17)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10,15H2,1H3
InChIKeyVMCHTHYDYKAPMS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds3

About (1-ethylpiperidin-4-yl) 4-aminobenzoate

(1-ethylpiperidin-4-yl) 4-aminobenzoate (PubChem CID 3060683) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl) 4-aminobenzoate.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl) 4-aminobenzoate
PubChem CID3060683
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(1-ethylpiperidin-4-yl) 4-aminobenzoate
SMILESCCN1CCC(OC(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-16-9-7-13(8-10-16)18-14(17)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10,15H2,1H3
InChIKeyVMCHTHYDYKAPMS-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-ethylpyrrolidin-3-yl) 4-aminobenzoate
CID 117066621
bis(4-aminocyclohexyl) benzene-1,4-dicarboxylate;propane
CID 70377044
(3,4-dimethylcyclohexyl) 4-aminobenzoate
CID 64746890
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-chlorobenzoate;hydrochloride
CID 18919932
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
oxolan-3-yl 4-aminobenzoate
CID 63558656
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate
CID 18919757
ethyl 4-aminobenzoate
CID 2337
[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
CID 18919781
cyclopentyl 4-amino-3-ethoxybenzoate
CID 82057553
[1-[(4-bromophenyl)methyl]piperidin-4-yl] 4-chlorobenzoate;hydrochloride
CID 18919904
[4-(4-butylbenzoyl)oxycyclohexyl] 4-butylbenzoate
CID 21028980

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl) 4-aminobenzoate?
The IUPAC name of (1-ethylpiperidin-4-yl) 4-aminobenzoate (CID 3060683) is (1-ethylpiperidin-4-yl) 4-aminobenzoate.
What is the SMILES notation for (1-ethylpiperidin-4-yl) 4-aminobenzoate?
The canonical SMILES for (1-ethylpiperidin-4-yl) 4-aminobenzoate is CCN1CCC(OC(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl) 4-aminobenzoate?
The InChIKey is VMCHTHYDYKAPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-16-9-7-13(8-10-16)18-14(17)11-3-5-12(15)6-4-11/h3-6,13H,2,7-10,15H2,1H3.
What are the key properties of (1-ethylpiperidin-4-yl) 4-aminobenzoate?
(1-ethylpiperidin-4-yl) 4-aminobenzoate has a molecular weight of 248.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl) 4-aminobenzoate is sourced from PubChem (CID 3060683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).