2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine

C18H27NO3 — CID 117490817

IUPAC2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
SMILESCOc1cccc(CC2CCCCN2)c1OC1CCOCC1
InChIInChI=1S/C18H27NO3/c1-20-17-7-4-5-14(13-15-6-2-3-10-19-15)18(17)22-16-8-11-21-12-9-16/h4-5,7,15-16,19H,2-3,6,8-13H2,1H3
InChIKeySWZWDMBURPGDAQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.94
Rot. Bonds5

About 2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine

2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine (PubChem CID 117490817) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
PubChem CID117490817
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
SMILESCOc1cccc(CC2CCCCN2)c1OC1CCOCC1
InChIInChI=1S/C18H27NO3/c1-20-17-7-4-5-14(13-15-6-2-3-10-19-15)18(17)22-16-8-11-21-12-9-16/h4-5,7,15-16,19H,2-3,6,8-13H2,1H3
InChIKeySWZWDMBURPGDAQ-UHFFFAOYSA-N
XLogP2.94
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
CID 117470858
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine
CID 117470804
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117492500
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]acetonitrile
CID 117370390
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
4-[3-(2-cyclopentyloxy-3-methoxyphenyl)propyl]morpholine
CID 170870157
3-[2-methoxy-3-(pyrrolidin-2-ylmethyl)phenoxy]-1-methylpyrrolidine
CID 117469461
2-[2-(2,3-dimethoxyphenyl)ethyl]piperidine
CID 43146765
2-[(3-methoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117455721
2-[2-(2,3-dimethoxyphenoxy)ethyl]piperidine
CID 112500840

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine?
The IUPAC name of 2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine (CID 117490817) is 2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine.
What is the SMILES notation for 2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine?
The canonical SMILES for 2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine is COc1cccc(CC2CCCCN2)c1OC1CCOCC1.
What is the InChIKey of 2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine?
The InChIKey is SWZWDMBURPGDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-20-17-7-4-5-14(13-15-6-2-3-10-19-15)18(17)22-16-8-11-21-12-9-16/h4-5,7,15-16,19H,2-3,6,8-13H2,1H3.
What are the key properties of 2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine?
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine has a molecular weight of 305.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117490817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).