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

C14H28N2O2 — CID 62558124

IUPAC2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCOC1CCCN(CCNCC2CCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-2-18-14-4-3-7-16(11-14)8-6-15-10-13-5-9-17-12-13/h13-15H,2-12H2,1H3
InChIKeyHEEYVQWKMWEQIR-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.11
Rot. Bonds7

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

2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 62558124) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID62558124
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCOC1CCCN(CCNCC2CCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-2-18-14-4-3-7-16(11-14)8-6-15-10-13-5-9-17-12-13/h13-15H,2-12H2,1H3
InChIKeyHEEYVQWKMWEQIR-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55090292
2-(4,4-diethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55159679
N-(oxolan-3-ylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574882
N-[2-(3-propoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 63098996
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
2-(2-ethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62575587
N-(2-ethoxyethyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 55089422
2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 62593612
2-(3-ethylmorpholin-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 62559706
N-[3-(3-ethoxypiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 55071185
N,N,4-trimethyl-1-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidin-3-amine
CID 81469540

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 62558124) is 2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is CCOC1CCCN(CCNCC2CCOC2)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is HEEYVQWKMWEQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-18-14-4-3-7-16(11-14)8-6-15-10-13-5-9-17-12-13/h13-15H,2-12H2,1H3.
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 256.39 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 62558124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).