2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

C14H28N2O — CID 103069538

IUPAC2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC(OCC)CC1
InChIInChI=1S/C14H28N2O/c1-5-17-14-6-8-16(9-7-14)11-13(4)10-15-12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyNSUQZCRPIBZPAT-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.04
Rot. Bonds7

About 2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103069538) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID103069538
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC(OCC)CC1
InChIInChI=1S/C14H28N2O/c1-5-17-14-6-8-16(9-7-14)11-13(4)10-15-12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyNSUQZCRPIBZPAT-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine (CID 103069538) is 2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CN1CCC(OCC)CC1.
What is the InChIKey of 2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is NSUQZCRPIBZPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-17-14-6-8-16(9-7-14)11-13(4)10-15-12(2)3/h12,14-15H,4-11H2,1-3H3.
What are the key properties of 2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine?
2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103069538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).