4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine

C17H26N2O2 — CID 117469472

IUPAC4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
SMILESCOc1cccc(CC2CCNCC2)c1OC1CN(C)C1
InChIInChI=1S/C17H26N2O2/c1-19-11-15(12-19)21-17-14(4-3-5-16(17)20-2)10-13-6-8-18-9-7-13/h3-5,13,15,18H,6-12H2,1-2H3
InChIKeyZTCJRNIMTMTATG-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.93
Rot. Bonds5

About 4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine

4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine (PubChem CID 117469472) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
PubChem CID117469472
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
SMILESCOc1cccc(CC2CCNCC2)c1OC1CN(C)C1
InChIInChI=1S/C17H26N2O2/c1-19-11-15(12-19)21-17-14(4-3-5-16(17)20-2)10-13-6-8-18-9-7-13/h3-5,13,15,18H,6-12H2,1-2H3
InChIKeyZTCJRNIMTMTATG-UHFFFAOYSA-N
XLogP1.93
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
1-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]-2-methylpropan-2-amine
CID 117415762
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
4-[[4-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117405627
2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine
CID 117443056
3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine
CID 117444661
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
3-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444674
1-[[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]methyl]cyclopropan-1-ol
CID 117470886
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817
N-[2-methoxy-6-(piperidin-4-ylmethyl)phenyl]acetamide
CID 117410784

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine?
The IUPAC name of 4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine (CID 117469472) is 4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine.
What is the SMILES notation for 4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine?
The canonical SMILES for 4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine is COc1cccc(CC2CCNCC2)c1OC1CN(C)C1.
What is the InChIKey of 4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine?
The InChIKey is ZTCJRNIMTMTATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-11-15(12-19)21-17-14(4-3-5-16(17)20-2)10-13-6-8-18-9-7-13/h3-5,13,15,18H,6-12H2,1-2H3.
What are the key properties of 4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine?
4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine has a molecular weight of 290.41 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine is sourced from PubChem (CID 117469472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).