4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine

C17H25NO2 — CID 117441033

IUPAC4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CC2CCNCC2)c1OC1CCC1
InChIInChI=1S/C17H25NO2/c1-19-16-7-2-4-14(12-13-8-10-18-11-9-13)17(16)20-15-5-3-6-15/h2,4,7,13,15,18H,3,5-6,8-12H2,1H3
InChIKeyDGLGEJFMZLHADF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.17
Rot. Bonds5

About 4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine

4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine (PubChem CID 117441033) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
PubChem CID117441033
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CC2CCNCC2)c1OC1CCC1
InChIInChI=1S/C17H25NO2/c1-19-16-7-2-4-14(12-13-8-10-18-11-9-13)17(16)20-15-5-3-6-15/h2,4,7,13,15,18H,3,5-6,8-12H2,1H3
InChIKeyDGLGEJFMZLHADF-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-cyclobutyloxy-3-methoxyphenyl)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

4-[[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]methyl]piperidine
CID 117469472
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
2-methoxy-6-(piperidin-4-ylmethyl)phenol
CID 117316216
3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine
CID 117444661
[2-(chloromethyl)-6-methoxyphenoxy]cycloheptane
CID 82927927
O-[2-(2-cyclobutyloxy-3-methoxyphenyl)ethyl]hydroxylamine
CID 117347185
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817
2-cyclobutyloxy-1-(isocyanatomethyl)-3-methoxybenzene
CID 117338039
1-bromo-2-cyclobutyloxy-3-methoxybenzene
CID 84709057
N-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119784711

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine (CID 117441033) is 4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine is COc1cccc(CC2CCNCC2)c1OC1CCC1.
What is the InChIKey of 4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine?
The InChIKey is DGLGEJFMZLHADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-19-16-7-2-4-14(12-13-8-10-18-11-9-13)17(16)20-15-5-3-6-15/h2,4,7,13,15,18H,3,5-6,8-12H2,1H3.
What are the key properties of 4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine?
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine has a molecular weight of 275.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117441033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).