1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine

C13H26N2O — CID 115708798

IUPAC1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCCCC1)C1CCOC1
InChIInChI=1S/C13H26N2O/c1-12(13-5-10-16-11-13)14-6-9-15-7-3-2-4-8-15/h12-14H,2-11H2,1H3
InChIKeyULELNDJXSAPDRV-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds5

About 1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine

1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine (PubChem CID 115708798) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine
PubChem CID115708798
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine
SMILESCC(NCCN1CCCCC1)C1CCOC1
InChIInChI=1S/C13H26N2O/c1-12(13-5-10-16-11-13)14-6-9-15-7-3-2-4-8-15/h12-14H,2-11H2,1H3
InChIKeyULELNDJXSAPDRV-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azocan-1-yl)ethyl]-1-cyclopropylethanamine
CID 62574708
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
CID 61241929
(1S)-1-cycloheptyl-N-(2-morpholin-4-ylethyl)ethanamine
CID 81393168
1-(1-methylpiperidin-4-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 54967519
(1R)-1-cyclopentyl-N-(2-morpholin-4-ylethyl)ethanamine
CID 81394367
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
1-cyclopropyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]ethanamine
CID 103503465
1-cyclopentyl-N-[2-(4-methylpiperidin-1-yl)ethyl]ethanamine
CID 62631760
1-cyclopropyl-N-[2-(4,4-dimethylazepan-1-yl)ethyl]ethanamine
CID 65286870
3-ethoxy-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115704257
1-cyclopropyl-N-[2-(1,4-thiazepan-4-yl)ethyl]ethanamine
CID 62556728

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
The IUPAC name of 1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine (CID 115708798) is 1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
The canonical SMILES for 1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine is CC(NCCN1CCCCC1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
The InChIKey is ULELNDJXSAPDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(13-5-10-16-11-13)14-6-9-15-7-3-2-4-8-15/h12-14H,2-11H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine?
1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine is sourced from PubChem (CID 115708798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).