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

C11H22N2O — CID 28725790

IUPACN-(3-ethenoxypropyl)-1-methylpiperidin-4-amine
SMILESC=COCCCNC1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-3-14-10-4-7-12-11-5-8-13(2)9-6-11/h3,11-12H,1,4-10H2,2H3
InChIKeyBGKBVHHOJLXQDB-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.22
Rot. Bonds6

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

N-(3-ethenoxypropyl)-1-methylpiperidin-4-amine (PubChem CID 28725790) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-1-methylpiperidin-4-amine
PubChem CID28725790
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(3-ethenoxypropyl)-1-methylpiperidin-4-amine
SMILESC=COCCCNC1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-3-14-10-4-7-12-11-5-8-13(2)9-6-11/h3,11-12H,1,4-10H2,2H3
InChIKeyBGKBVHHOJLXQDB-UHFFFAOYSA-N
XLogP1.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.22
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-methylpiperidin-4-amine?
The IUPAC name of N-(3-ethenoxypropyl)-1-methylpiperidin-4-amine (CID 28725790) is N-(3-ethenoxypropyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethenoxypropyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(3-ethenoxypropyl)-1-methylpiperidin-4-amine is C=COCCCNC1CCN(C)CC1.
What is the InChIKey of N-(3-ethenoxypropyl)-1-methylpiperidin-4-amine?
The InChIKey is BGKBVHHOJLXQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-14-10-4-7-12-11-5-8-13(2)9-6-11/h3,11-12H,1,4-10H2,2H3.
What are the key properties of N-(3-ethenoxypropyl)-1-methylpiperidin-4-amine?
N-(3-ethenoxypropyl)-1-methylpiperidin-4-amine has a molecular weight of 198.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 28725790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).