2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine

C16H24N2O2 — CID 117443056

IUPAC2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine
SMILESCOc1cccc(C2CCCCN2)c1OC1CN(C)C1
InChIInChI=1S/C16H24N2O2/c1-18-10-12(11-18)20-16-13(6-5-8-15(16)19-2)14-7-3-4-9-17-14/h5-6,8,12,14,17H,3-4,7,9-11H2,1-2H3
InChIKeyHHUXEKLVJHWSSD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.20
Rot. Bonds4

About 2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine

2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine (PubChem CID 117443056) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine.

Molecular Properties

Compound Name2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine
PubChem CID117443056
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine
SMILESCOc1cccc(C2CCCCN2)c1OC1CN(C)C1
InChIInChI=1S/C16H24N2O2/c1-18-10-12(11-18)20-16-13(6-5-8-15(16)19-2)14-7-3-4-9-17-14/h5-6,8,12,14,17H,3-4,7,9-11H2,1-2H3
InChIKeyHHUXEKLVJHWSSD-UHFFFAOYSA-N
XLogP2.20
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine
CID 117470804
2-[3-methoxy-2-(thian-4-yloxy)phenyl]pyrrolidine
CID 117473690
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine
CID 117478268
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
(2R)-2-(2,3-dimethoxyphenyl)azetidine;hydrochloride
CID 171197120
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-(2-methoxy-3-methylphenyl)azepane
CID 5021978

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine?
The IUPAC name of 2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine (CID 117443056) is 2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine.
What is the SMILES notation for 2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine?
The canonical SMILES for 2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine is COc1cccc(C2CCCCN2)c1OC1CN(C)C1.
What is the InChIKey of 2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine?
The InChIKey is HHUXEKLVJHWSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18-10-12(11-18)20-16-13(6-5-8-15(16)19-2)14-7-3-4-9-17-14/h5-6,8,12,14,17H,3-4,7,9-11H2,1-2H3.
What are the key properties of 2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine?
2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine has a molecular weight of 276.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine is sourced from PubChem (CID 117443056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).