ethyl 2-amino-4-pentylpiperidine-1-carboxylate

C13H26N2O2 — CID 70618128

IUPACethyl 2-amino-4-pentylpiperidine-1-carboxylate
SMILESCCCCCC1CCN(C(=O)OCC)C(N)C1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-7-11-8-9-15(12(14)10-11)13(16)17-4-2/h11-12H,3-10,14H2,1-2H3
InChIKeyNAQUSYYPAYLUOO-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.72
Rot. Bonds5

About ethyl 2-amino-4-pentylpiperidine-1-carboxylate

ethyl 2-amino-4-pentylpiperidine-1-carboxylate (PubChem CID 70618128) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-amino-4-pentylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-pentylpiperidine-1-carboxylate
PubChem CID70618128
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-amino-4-pentylpiperidine-1-carboxylate
SMILESCCCCCC1CCN(C(=O)OCC)C(N)C1
InChIInChI=1S/C13H26N2O2/c1-3-5-6-7-11-8-9-15(12(14)10-11)13(16)17-4-2/h11-12H,3-10,14H2,1-2H3
InChIKeyNAQUSYYPAYLUOO-UHFFFAOYSA-N
XLogP2.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-amino-4-pentylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-pentylpiperidine-1-carboxylate?
The IUPAC name of ethyl 2-amino-4-pentylpiperidine-1-carboxylate (CID 70618128) is ethyl 2-amino-4-pentylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-pentylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 2-amino-4-pentylpiperidine-1-carboxylate is CCCCCC1CCN(C(=O)OCC)C(N)C1.
What is the InChIKey of ethyl 2-amino-4-pentylpiperidine-1-carboxylate?
The InChIKey is NAQUSYYPAYLUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-5-6-7-11-8-9-15(12(14)10-11)13(16)17-4-2/h11-12H,3-10,14H2,1-2H3.
What are the key properties of ethyl 2-amino-4-pentylpiperidine-1-carboxylate?
ethyl 2-amino-4-pentylpiperidine-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-pentylpiperidine-1-carboxylate is sourced from PubChem (CID 70618128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).