1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine

C13H27N3O2 — CID 103181610

IUPAC1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine
SMILESCOCCCOCCN1CC(N2CCNCC2)C1
InChIInChI=1S/C13H27N3O2/c1-17-8-2-9-18-10-7-15-11-13(12-15)16-5-3-14-4-6-16/h13-14H,2-12H2,1H3
InChIKeyRKJNRKZQALZERL-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.37
Rot. Bonds8

About 1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine

1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine (PubChem CID 103181610) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine
PubChem CID103181610
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine
SMILESCOCCCOCCN1CC(N2CCNCC2)C1
InChIInChI=1S/C13H27N3O2/c1-17-8-2-9-18-10-7-15-11-13(12-15)16-5-3-14-4-6-16/h13-14H,2-12H2,1H3
InChIKeyRKJNRKZQALZERL-UHFFFAOYSA-N
XLogP-0.37
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Morpholineethanamine, alpha-methyl-
CID 170951
4-(Azetidin-3-yl)morpholine
CID 13401973
N,N-Dimethyl-3-morpholinemethanamine
CID 18915134
4-(Azetidin-3-yl)morpholine dihydrochloride
CID 22061326
rac-(2R,6S)-1-(2-methoxyethyl)-2,6-dimethylpiperazine
CID 51623023
Methyl[1-(morpholin-4-yl)propan-2-yl]amine
CID 61501008
2-(3-Methylmorpholin-4-yl)propan-1-amine
CID 43541860
3-(Morpholin-4-yl)butan-2-amine
CID 50987517
1-(2-Ethoxyethyl)-2-ethylpiperazine
CID 54592596
1-Methoxy-3-(morpholin-4-yl)propan-2-amine
CID 81102361
1-(Azetidin-3-yl)-4-(2-methoxyethyl)piperazine trihydrochloride
CID 146083030
4-(3-Methylazetidin-3-yl)morpholine
CID 66936438

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine (CID 103181610) is 1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine is COCCCOCCN1CC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine?
The InChIKey is RKJNRKZQALZERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-17-8-2-9-18-10-7-15-11-13(12-15)16-5-3-14-4-6-16/h13-14H,2-12H2,1H3.
What are the key properties of 1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine?
1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine has a molecular weight of 257.38 g/mol, XLogP of -0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 103181610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).