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

C15H21NO2S — CID 117448460

IUPAC4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine
SMILESCOc1ccc(C2CCNCC2)cc1OC1CSC1
InChIInChI=1S/C15H21NO2S/c1-17-14-3-2-12(11-4-6-16-7-5-11)8-15(14)18-13-9-19-10-13/h2-3,8,11,13,16H,4-7,9-10H2,1H3
InChIKeyCPMGQASFZLWFNZ-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.66
Rot. Bonds4

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

4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine (PubChem CID 117448460) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine.

Molecular Properties

Compound Name4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine
PubChem CID117448460
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine
SMILESCOc1ccc(C2CCNCC2)cc1OC1CSC1
InChIInChI=1S/C15H21NO2S/c1-17-14-3-2-12(11-4-6-16-7-5-11)8-15(14)18-13-9-19-10-13/h2-3,8,11,13,16H,4-7,9-10H2,1H3
InChIKeyCPMGQASFZLWFNZ-UHFFFAOYSA-N
XLogP2.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.66
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-5-piperidin-4-ylphenoxy)-1-methylpiperidine
CID 117489897
4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
CID 117343039
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
CID 118993415
4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine
CID 117469507
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
2,6-dimethoxy-4-piperidin-4-ylaniline
CID 117345445
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
4-(4-methoxy-3-propan-2-ylphenyl)azepane
CID 82296013
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
CID 117470799
2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine
CID 117492466

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine?
The IUPAC name of 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine (CID 117448460) is 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine.
What is the SMILES notation for 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine?
The canonical SMILES for 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine is COc1ccc(C2CCNCC2)cc1OC1CSC1.
What is the InChIKey of 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine?
The InChIKey is CPMGQASFZLWFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-17-14-3-2-12(11-4-6-16-7-5-11)8-15(14)18-13-9-19-10-13/h2-3,8,11,13,16H,4-7,9-10H2,1H3.
What are the key properties of 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine?
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine has a molecular weight of 279.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine is sourced from PubChem (CID 117448460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).