1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane

C11H27N3O — CID 156883236

IUPAC1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
SMILESCC.NCCOCCN1CCC(N)CC1
InChIInChI=1S/C9H21N3O.C2H6/c10-3-7-13-8-6-12-4-1-9(11)2-5-12;1-2/h9H,1-8,10-11H2;1-2H3
InChIKeyFEKZBCPIRYPJKB-UHFFFAOYSA-N
MW217.36 g/mol
LogP0.41
Rot. Bonds5

About 1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane

1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane (PubChem CID 156883236) has the molecular formula C11H27N3O and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
PubChem CID156883236
Molecular FormulaC11H27N3O
Molecular Weight217.36 g/mol
Exact Mass217.22
IUPAC Name1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane
SMILESCC.NCCOCCN1CCC(N)CC1
InChIInChI=1S/C9H21N3O.C2H6/c10-3-7-13-8-6-12-4-1-9(11)2-5-12;1-2/h9H,1-8,10-11H2;1-2H3
InChIKeyFEKZBCPIRYPJKB-UHFFFAOYSA-N
XLogP0.41
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methylpiperidin-1-yl)ethoxy]ethanamine
CID 39237896
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
1-[2-(2-aminoethoxy)ethyl]-N,N-dimethylpiperidin-4-amine
CID 79478502
2-[2-(4-ethoxypiperidin-1-yl)ethoxy]ethanamine
CID 79478299
1-(3-ethoxypropyl)piperidin-4-amine
CID 18001948
1-(5-propoxypentyl)piperidin-4-amine
CID 18002201
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106453449
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]ethyl]pyrrolidin-3-amine
CID 163451495
1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine
CID 166169205
2-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]oxyethanol
CID 166715109

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane (CID 156883236) is 1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane is CC.NCCOCCN1CCC(N)CC1.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane?
The InChIKey is FEKZBCPIRYPJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O.C2H6/c10-3-7-13-8-6-12-4-1-9(11)2-5-12;1-2/h9H,1-8,10-11H2;1-2H3.
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane?
1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane has a molecular weight of 217.36 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]piperidin-4-amine;ethane is sourced from PubChem (CID 156883236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).