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

C17H25NO2S — CID 117492466

IUPAC2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine
SMILESCOc1ccc(C2CCCCN2)cc1OC1CCSCC1
InChIInChI=1S/C17H25NO2S/c1-19-16-6-5-13(15-4-2-3-9-18-15)12-17(16)20-14-7-10-21-11-8-14/h5-6,12,14-15,18H,2-4,7-11H2,1H3
InChIKeyCDQHIBGNYCFASC-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.78
Rot. Bonds4

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

2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine (PubChem CID 117492466) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine.

Molecular Properties

Compound Name2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine
PubChem CID117492466
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine
SMILESCOc1ccc(C2CCCCN2)cc1OC1CCSCC1
InChIInChI=1S/C17H25NO2S/c1-19-16-6-5-13(15-4-2-3-9-18-15)12-17(16)20-14-7-10-21-11-8-14/h5-6,12,14-15,18H,2-4,7-11H2,1H3
InChIKeyCDQHIBGNYCFASC-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine
CID 117469530
4-(2-methoxy-4-piperidin-2-ylphenoxy)-1-methylpiperidine
CID 117489913
2-methoxy-5-piperidin-2-ylaniline
CID 117116326
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
3-(3-cyclopentyloxy-4-methoxyphenoxy)thiolane
CID 54051330
[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
CID 171195107
2-[3-methoxy-2-(thian-4-yloxy)phenyl]pyrrolidine
CID 117473690
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
(2R)-2-(3-methoxy-4-propan-2-yloxyphenyl)pyrrolidine
CID 66519768
2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
CID 117477253

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine?
The IUPAC name of 2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine (CID 117492466) is 2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine.
What is the SMILES notation for 2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine?
The canonical SMILES for 2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine is COc1ccc(C2CCCCN2)cc1OC1CCSCC1.
What is the InChIKey of 2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine?
The InChIKey is CDQHIBGNYCFASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-19-16-6-5-13(15-4-2-3-9-18-15)12-17(16)20-14-7-10-21-11-8-14/h5-6,12,14-15,18H,2-4,7-11H2,1H3.
What are the key properties of 2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine?
2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine has a molecular weight of 307.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine is sourced from PubChem (CID 117492466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).