4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine

C14H28N2O2 — CID 156885066

IUPAC4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
SMILESCCCN1CCC(OCCOC2CN(C)C2)CC1
InChIInChI=1S/C14H28N2O2/c1-3-6-16-7-4-13(5-8-16)17-9-10-18-14-11-15(2)12-14/h13-14H,3-12H2,1-2H3
InChIKeyZFPKYBYHXQEJBS-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.21
Rot. Bonds7

About 4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine

4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine (PubChem CID 156885066) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine.

Molecular Properties

Compound Name4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
PubChem CID156885066
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine
SMILESCCCN1CCC(OCCOC2CN(C)C2)CC1
InChIInChI=1S/C14H28N2O2/c1-3-6-16-7-4-13(5-8-16)17-9-10-18-14-11-15(2)12-14/h13-14H,3-12H2,1-2H3
InChIKeyZFPKYBYHXQEJBS-UHFFFAOYSA-N
XLogP1.21
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-propoxy-1-propylpiperidine
CID 156867917
ethane;4-(2-methoxyethoxy)-1-propylpiperidine
CID 156885231
4-[2-(2-ethoxyethoxy)ethoxy]-1-propylpiperidine
CID 156885045
4-(2-bromoethoxy)-1-propylpiperidine
CID 82691689
N-methyl-2-(1-propylpiperidin-4-yl)oxyethanamine
CID 126619941
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
CID 156885090
4-butoxy-1-(5-methylhexyl)piperidine
CID 156530555
1-ethyl-4-[2-(1-methylpiperidin-4-yl)oxyethyl]piperazine
CID 156884985
N-(2-cyclohexyloxyethyl)-1-propylpiperidin-4-amine
CID 63826760
4-butoxy-1-methylpiperidine;ethane
CID 143443948
2-(1-propylazetidin-3-yl)oxyethanol
CID 168904280

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine?
The IUPAC name of 4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine (CID 156885066) is 4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine.
What is the SMILES notation for 4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine?
The canonical SMILES for 4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine is CCCN1CCC(OCCOC2CN(C)C2)CC1.
What is the InChIKey of 4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine?
The InChIKey is ZFPKYBYHXQEJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-6-16-7-4-13(5-8-16)17-9-10-18-14-11-15(2)12-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine?
4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine has a molecular weight of 256.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylazetidin-3-yl)oxyethoxy]-1-propylpiperidine is sourced from PubChem (CID 156885066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).