2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

C14H28N2O — CID 55090292

IUPAC2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCC1CCCN(CCNCC2CCOC2)C1
InChIInChI=1S/C14H28N2O/c1-2-13-4-3-7-16(11-13)8-6-15-10-14-5-9-17-12-14/h13-15H,2-12H2,1H3
InChIKeySDJOIPHQXVAUBJ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds6

About 2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 55090292) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID55090292
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCC1CCCN(CCNCC2CCOC2)C1
InChIInChI=1S/C14H28N2O/c1-2-13-4-3-7-16(11-13)8-6-15-10-14-5-9-17-12-14/h13-15H,2-12H2,1H3
InChIKeySDJOIPHQXVAUBJ-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
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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Related Compounds

2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62558124
2-(4,4-diethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55159679
N-[2-(3-ethylpiperidin-1-yl)ethyl]butan-1-amine
CID 62560238
2-(2-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62575587
2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 62593612
N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574882
N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561731
2-(3-ethylmorpholin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62559706
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 62581307
N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine
CID 81469540
1-(1-ethylpyrrolidin-3-yl)-N-(oxan-3-ylmethyl)methanamine
CID 63740741

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 55090292) is 2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is CCC1CCCN(CCNCC2CCOC2)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is SDJOIPHQXVAUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-13-4-3-7-16(11-13)8-6-15-10-14-5-9-17-12-14/h13-15H,2-12H2,1H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 55090292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).