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

C17H25NO3 — CID 117470801

IUPAC3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
SMILESCOc1c(OC2CCCOC2)cccc1C1CCCNC1
InChIInChI=1S/C17H25NO3/c1-19-17-15(13-5-3-9-18-11-13)7-2-8-16(17)21-14-6-4-10-20-12-14/h2,7-8,13-14,18H,3-6,9-12H2,1H3
InChIKeyIKTMUURTJUGHBL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.72
Rot. Bonds4

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

3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine (PubChem CID 117470801) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine.

Molecular Properties

Compound Name3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
PubChem CID117470801
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
SMILESCOc1c(OC2CCCOC2)cccc1C1CCCNC1
InChIInChI=1S/C17H25NO3/c1-19-17-15(13-5-3-9-18-11-13)7-2-8-16(17)21-14-6-4-10-20-12-14/h2,7-8,13-14,18H,3-6,9-12H2,1H3
InChIKeyIKTMUURTJUGHBL-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-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
CID 117408157
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
CID 117470799
2-methoxy-3-piperidin-3-ylaniline
CID 174616983
3-[2-(oxan-4-yloxy)phenyl]piperidine
CID 117408165
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
2-methoxy-3-(oxan-3-yloxy)benzoic acid
CID 115005205
3-naphthalen-1-yloxyoxane
CID 107137916
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417565
3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
CID 84700227
2-methyl-3-(oxan-3-yloxy)phenol
CID 107135241
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine
CID 84688526

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine?
The IUPAC name of 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine (CID 117470801) is 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine.
What is the SMILES notation for 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine?
The canonical SMILES for 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine is COc1c(OC2CCCOC2)cccc1C1CCCNC1.
What is the InChIKey of 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine?
The InChIKey is IKTMUURTJUGHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-17-15(13-5-3-9-18-11-13)7-2-8-16(17)21-14-6-4-10-20-12-14/h2,7-8,13-14,18H,3-6,9-12H2,1H3.
What are the key properties of 3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine?
3-[2-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-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine is sourced from PubChem (CID 117470801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).