N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine

C13H28N2O2 — CID 114031951

IUPACN-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCOCCOCCNCCCN1CCCCC1
InChIInChI=1S/C13H28N2O2/c1-16-12-13-17-11-7-14-6-5-10-15-8-3-2-4-9-15/h14H,2-13H2,1H3
InChIKeyPEPHZRIQCJZOKY-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.12
Rot. Bonds10

About N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine

N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 114031951) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID114031951
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCOCCOCCNCCCN1CCCCC1
InChIInChI=1S/C13H28N2O2/c1-16-12-13-17-11-7-14-6-5-10-15-8-3-2-4-9-15/h14H,2-13H2,1H3
InChIKeyPEPHZRIQCJZOKY-UHFFFAOYSA-N
XLogP1.12
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.12
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

4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62568410
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
2-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 113220096
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 113411499
N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62568582
3-methoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104561644
ethane;1-[2-(4-methoxybutoxy)ethyl]piperidine
CID 142390245
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
3-(1,3-diazinan-1-yl)-N-[2-[2-[2-[2-[3-(1,3-diazinan-1-yl)propylamino]ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 10741951

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine (CID 114031951) is N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine is COCCOCCNCCCN1CCCCC1.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is PEPHZRIQCJZOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-16-12-13-17-11-7-14-6-5-10-15-8-3-2-4-9-15/h14H,2-13H2,1H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine?
N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 244.38 g/mol, XLogP of 1.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 114031951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).