2-(3-ethoxypiperidin-1-yl)heptan-1-amine

C14H30N2O — CID 54985101

IUPAC2-(3-ethoxypiperidin-1-yl)heptan-1-amine
SMILESCCCCCC(CN)N1CCCC(OCC)C1
InChIInChI=1S/C14H30N2O/c1-3-5-6-8-13(11-15)16-10-7-9-14(12-16)17-4-2/h13-14H,3-12,15H2,1-2H3
InChIKeyUIEGSPVTROVJON-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.39
Rot. Bonds8

About 2-(3-ethoxypiperidin-1-yl)heptan-1-amine

2-(3-ethoxypiperidin-1-yl)heptan-1-amine (PubChem CID 54985101) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)heptan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)heptan-1-amine
PubChem CID54985101
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(3-ethoxypiperidin-1-yl)heptan-1-amine
SMILESCCCCCC(CN)N1CCCC(OCC)C1
InChIInChI=1S/C14H30N2O/c1-3-5-6-8-13(11-15)16-10-7-9-14(12-16)17-4-2/h13-14H,3-12,15H2,1-2H3
InChIKeyUIEGSPVTROVJON-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)heptan-1-amine?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)heptan-1-amine (CID 54985101) is 2-(3-ethoxypiperidin-1-yl)heptan-1-amine.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)heptan-1-amine?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)heptan-1-amine is CCCCCC(CN)N1CCCC(OCC)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)heptan-1-amine?
The InChIKey is UIEGSPVTROVJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-5-6-8-13(11-15)16-10-7-9-14(12-16)17-4-2/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)heptan-1-amine?
2-(3-ethoxypiperidin-1-yl)heptan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)heptan-1-amine is sourced from PubChem (CID 54985101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).