3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine

C17H25NO3 — CID 117470799

IUPAC3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
SMILESCOc1ccc(C2CCCNC2)cc1OC1CCCOC1
InChIInChI=1S/C17H25NO3/c1-19-16-7-6-13(14-4-2-8-18-11-14)10-17(16)21-15-5-3-9-20-12-15/h6-7,10,14-15,18H,2-5,8-9,11-12H2,1H3
InChIKeyFOSYBHHJNOHQQE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.72
Rot. Bonds4

About 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine

3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine (PubChem CID 117470799) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine.

Molecular Properties

Compound Name3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
PubChem CID117470799
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
SMILESCOc1ccc(C2CCCNC2)cc1OC1CCCOC1
InChIInChI=1S/C17H25NO3/c1-19-16-7-6-13(14-4-2-8-18-11-14)10-17(16)21-15-5-3-9-20-12-15/h6-7,10,14-15,18H,2-5,8-9,11-12H2,1H3
InChIKeyFOSYBHHJNOHQQE-UHFFFAOYSA-N
XLogP2.72
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
CID 117470801
3-[3-chloro-4-(oxolan-3-yloxy)phenyl]pyrrolidine
CID 117423041
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]cyclobutan-1-amine
CID 117444451
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
5-(3-cyclohexyloxy-4-methoxyphenyl)-1,3-diazinan-2-one
CID 71173537
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
2-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417571
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
CID 117415306
4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine
CID 117469507
2-(2-methoxy-4-piperidin-3-ylphenoxy)propanamide
CID 117100231
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine?
The IUPAC name of 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine (CID 117470799) is 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine.
What is the SMILES notation for 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine?
The canonical SMILES for 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine is COc1ccc(C2CCCNC2)cc1OC1CCCOC1.
What is the InChIKey of 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine?
The InChIKey is FOSYBHHJNOHQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-16-7-6-13(14-4-2-8-18-11-14)10-17(16)21-15-5-3-9-20-12-15/h6-7,10,14-15,18H,2-5,8-9,11-12H2,1H3.
What are the key properties of 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine?
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine has a molecular weight of 291.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine is sourced from PubChem (CID 117470799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).