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

C17H25NO3 — CID 117470804

IUPAC2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine
SMILESCOc1cccc(C2CCCCN2)c1OC1CCOCC1
InChIInChI=1S/C17H25NO3/c1-19-16-7-4-5-14(15-6-2-3-10-18-15)17(16)21-13-8-11-20-12-9-13/h4-5,7,13,15,18H,2-3,6,8-12H2,1H3
InChIKeyYVSQCLBVXPSVAZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.07
Rot. Bonds4

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

2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine (PubChem CID 117470804) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine.

Molecular Properties

Compound Name2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine
PubChem CID117470804
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine
SMILESCOc1cccc(C2CCCCN2)c1OC1CCOCC1
InChIInChI=1S/C17H25NO3/c1-19-16-7-4-5-14(15-6-2-3-10-18-15)17(16)21-13-8-11-20-12-9-13/h4-5,7,13,15,18H,2-3,6,8-12H2,1H3
InChIKeyYVSQCLBVXPSVAZ-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine
CID 117443056
2-[3-methoxy-2-(thian-4-yloxy)phenyl]pyrrolidine
CID 117473690
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
(2S)-2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 130973106
2-(2-chloro-3-methoxyphenyl)pyrrolidine
CID 83703297
3-methoxy-2-(oxan-4-yloxy)benzonitrile
CID 117338061
2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117494554
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]acetonitrile
CID 117370390
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine?
The IUPAC name of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine (CID 117470804) is 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine.
What is the SMILES notation for 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine?
The canonical SMILES for 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine is COc1cccc(C2CCCCN2)c1OC1CCOCC1.
What is the InChIKey of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine?
The InChIKey is YVSQCLBVXPSVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-16-7-4-5-14(15-6-2-3-10-18-15)17(16)21-13-8-11-20-12-9-13/h4-5,7,13,15,18H,2-3,6,8-12H2,1H3.
What are the key properties of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine?
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]piperidine has a molecular weight of 291.39 g/mol, XLogP of 3.07, 4 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]piperidine is sourced from PubChem (CID 117470804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).