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

C14H20N2O2 — CID 21070762

IUPACethyl 1-(4-aminophenyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)13-5-3-4-10-16(13)12-8-6-11(15)7-9-12/h6-9,13H,2-5,10,15H2,1H3
InChIKeySYKSWMRKMBTSMG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.19
Rot. Bonds3

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

ethyl 1-(4-aminophenyl)piperidine-2-carboxylate (PubChem CID 21070762) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 1-(4-aminophenyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-aminophenyl)piperidine-2-carboxylate
PubChem CID21070762
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 1-(4-aminophenyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1ccc(N)cc1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)13-5-3-4-10-16(13)12-8-6-11(15)7-9-12/h6-9,13H,2-5,10,15H2,1H3
InChIKeySYKSWMRKMBTSMG-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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-(4-carbamothioylphenyl)piperidine-2-carboxylate
CID 43648340
ethyl 1-(4-sulfamoylphenyl)pyrrolidine-2-carboxylate
CID 62006690
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide
CID 89155190
ethyl 1-(6-amino-2-pyridinyl)piperidine-2-carboxylate
CID 80647768
(2S)-1-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 28822622
ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate
CID 151204271
ethyl 1-(3-methyl-4-pyridinyl)piperidine-2-carboxylate
CID 113331444
ethyl 1-(3-methyl-5-nitrophenyl)piperidine-2-carboxylate
CID 115981674
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
ethyl 1-(2-hydroxycyclopentyl)piperidine-2-carboxylate
CID 115279765
ethyl 1-(4-bromo-2-carbamothioylphenyl)piperidine-2-carboxylate
CID 114891388

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-aminophenyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-aminophenyl)piperidine-2-carboxylate (CID 21070762) is ethyl 1-(4-aminophenyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-aminophenyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-aminophenyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1ccc(N)cc1.
What is the InChIKey of ethyl 1-(4-aminophenyl)piperidine-2-carboxylate?
The InChIKey is SYKSWMRKMBTSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-14(17)13-5-3-4-10-16(13)12-8-6-11(15)7-9-12/h6-9,13H,2-5,10,15H2,1H3.
What are the key properties of ethyl 1-(4-aminophenyl)piperidine-2-carboxylate?
ethyl 1-(4-aminophenyl)piperidine-2-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-aminophenyl)piperidine-2-carboxylate is sourced from PubChem (CID 21070762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).