1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine

C11H23N3O — CID 146420488

IUPAC1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine
SMILESCN1CC(OCCCN2CCNCC2)C1
InChIInChI=1S/C11H23N3O/c1-13-9-11(10-13)15-8-2-5-14-6-3-12-4-7-14/h11-12H,2-10H2,1H3
InChIKeyWKIFBZHPHVIEKD-UHFFFAOYSA-N
MW213.32 g/mol
LogP-0.39
Rot. Bonds5

About 1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine

1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine (PubChem CID 146420488) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine.

Molecular Properties

Compound Name1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine
PubChem CID146420488
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine
SMILESCN1CC(OCCCN2CCNCC2)C1
InChIInChI=1S/C11H23N3O/c1-13-9-11(10-13)15-8-2-5-14-6-3-12-4-7-14/h11-12H,2-10H2,1H3
InChIKeyWKIFBZHPHVIEKD-UHFFFAOYSA-N
XLogP-0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-piperidin-4-yloxypropyl)-1,4-thiazinane 1,1-dioxide
CID 63871035
1-(8-methylnonyl)piperazine
CID 170614920
1-methyl-3-[5-(3-propoxyazetidin-1-yl)pentoxy]azetidine
CID 155331336
3-methyl-1-(3-piperidin-4-yloxypropyl)piperidine
CID 63904524
1-[3-(3-methylazetidin-1-yl)propyl]piperazine
CID 79677275
3-methoxy-1-(3-piperidin-4-yloxypropyl)piperidine
CID 102963853
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
CID 156885066
1-tricosylpiperazine
CID 130183651
1-[2-(3,4-dimethylcyclohexyl)oxyethyl]piperazine
CID 64744385
ethane;1-(5-methoxypentyl)piperazine;propane
CID 156802443
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616
1-(6-propan-2-yloxyhexyl)piperazine
CID 148670601

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine?
The IUPAC name of 1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine (CID 146420488) is 1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine.
What is the SMILES notation for 1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine?
The canonical SMILES for 1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine is CN1CC(OCCCN2CCNCC2)C1.
What is the InChIKey of 1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine?
The InChIKey is WKIFBZHPHVIEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-13-9-11(10-13)15-8-2-5-14-6-3-12-4-7-14/h11-12H,2-10H2,1H3.
What are the key properties of 1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine?
1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine has a molecular weight of 213.32 g/mol, XLogP of -0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylazetidin-3-yl)oxypropyl]piperazine is sourced from PubChem (CID 146420488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).