N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine

C12H24N2O — CID 28725800

IUPACN-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine
SMILESC=COCCCNC1CCN(CC)CC1
InChIInChI=1S/C12H24N2O/c1-3-14-9-6-12(7-10-14)13-8-5-11-15-4-2/h4,12-13H,2-3,5-11H2,1H3
InChIKeyIXCYHMBWIQTZMO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.61
Rot. Bonds7

About N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine

N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine (PubChem CID 28725800) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine
PubChem CID28725800
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine
SMILESC=COCCCNC1CCN(CC)CC1
InChIInChI=1S/C12H24N2O/c1-3-14-9-6-12(7-10-14)13-8-5-11-15-4-2/h4,12-13H,2-3,5-11H2,1H3
InChIKeyIXCYHMBWIQTZMO-UHFFFAOYSA-N
XLogP1.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine?
The IUPAC name of N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine (CID 28725800) is N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine is C=COCCCNC1CCN(CC)CC1.
What is the InChIKey of N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine?
The InChIKey is IXCYHMBWIQTZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-14-9-6-12(7-10-14)13-8-5-11-15-4-2/h4,12-13H,2-3,5-11H2,1H3.
What are the key properties of N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine?
N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine has a molecular weight of 212.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-1-ethylpiperidin-4-amine is sourced from PubChem (CID 28725800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).