4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine

C14H30N2O — CID 123960625

IUPAC4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine
SMILESCCCCCC1(OCC)CCN(CC)CC1N
InChIInChI=1S/C14H30N2O/c1-4-7-8-9-14(17-6-3)10-11-16(5-2)12-13(14)15/h13H,4-12,15H2,1-3H3
InChIKeyZTVJNQXXZSWQRE-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.39
Rot. Bonds7

About 4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine

4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine (PubChem CID 123960625) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine.

Molecular Properties

Compound Name4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine
PubChem CID123960625
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine
SMILESCCCCCC1(OCC)CCN(CC)CC1N
InChIInChI=1S/C14H30N2O/c1-4-7-8-9-14(17-6-3)10-11-16(5-2)12-13(14)15/h13H,4-12,15H2,1-3H3
InChIKeyZTVJNQXXZSWQRE-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine 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 4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine?
The IUPAC name of 4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine (CID 123960625) is 4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine.
What is the SMILES notation for 4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine?
The canonical SMILES for 4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine is CCCCCC1(OCC)CCN(CC)CC1N.
What is the InChIKey of 4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine?
The InChIKey is ZTVJNQXXZSWQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-7-8-9-14(17-6-3)10-11-16(5-2)12-13(14)15/h13H,4-12,15H2,1-3H3.
What are the key properties of 4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine?
4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine has a molecular weight of 242.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-ethyl-4-pentylpiperidin-3-amine is sourced from PubChem (CID 123960625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).