ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate

C16H24N2O2 — CID 22668702

IUPACethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCc2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)14-8-11-18(12-9-14)10-7-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12,17H2,1H3
InChIKeyRCEGANABGLIKHM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.09
Rot. Bonds5

About ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate

ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate (PubChem CID 22668702) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate
PubChem CID22668702
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCc2ccc(N)cc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)14-8-11-18(12-9-14)10-7-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12,17H2,1H3
InChIKeyRCEGANABGLIKHM-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
CID 139211005
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
ethyl 1-[2-(ethylamino)ethyl]piperidine-4-carboxylate
CID 61386620
ethyl 3-[(4-aminophenyl)methyl]cyclobutane-1-carboxylate
CID 59464168
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-(3-azidopropyl)piperidine-4-carboxylate
CID 61396666
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate (CID 22668702) is ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCc2ccc(N)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate?
The InChIKey is RCEGANABGLIKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-20-16(19)14-8-11-18(12-9-14)10-7-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12,17H2,1H3.
What are the key properties of ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-aminophenyl)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 22668702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).