3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine

C16H23NO3 — CID 117444661

IUPAC3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine
SMILESCOc1cccc(CC2CCCNC2)c1OC1COC1
InChIInChI=1S/C16H23NO3/c1-18-15-6-2-5-13(8-12-4-3-7-17-9-12)16(15)20-14-10-19-11-14/h2,5-6,12,14,17H,3-4,7-11H2,1H3
InChIKeyBBUNNTDDTYQWSF-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.01
Rot. Bonds5

About 3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine

3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine (PubChem CID 117444661) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine
PubChem CID117444661
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine
SMILESCOc1cccc(CC2CCCNC2)c1OC1COC1
InChIInChI=1S/C16H23NO3/c1-18-15-6-2-5-13(8-12-4-3-7-17-9-12)16(15)20-14-10-19-11-14/h2,5-6,12,14,17H,3-4,7-11H2,1H3
InChIKeyBBUNNTDDTYQWSF-UHFFFAOYSA-N
XLogP2.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine 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

3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
3-[(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)methyl]piperidine
CID 117371537
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
3-[(2-bromo-6-methoxyphenyl)methyl]piperidine
CID 84812911
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine?
The IUPAC name of 3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine (CID 117444661) is 3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine.
What is the SMILES notation for 3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine?
The canonical SMILES for 3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine is COc1cccc(CC2CCCNC2)c1OC1COC1.
What is the InChIKey of 3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine?
The InChIKey is BBUNNTDDTYQWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-15-6-2-5-13(8-12-4-3-7-17-9-12)16(15)20-14-10-19-11-14/h2,5-6,12,14,17H,3-4,7-11H2,1H3.
What are the key properties of 3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine?
3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine has a molecular weight of 277.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117444661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).