2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine

C14H21NO3S — CID 117455719

IUPAC2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
SMILESCOc1c(CC2CCCCN2)cccc1S(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-18-14-11(10-12-7-3-4-9-15-12)6-5-8-13(14)19(2,16)17/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3
InChIKeyDOTDJOJWRLOVPE-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.78
Rot. Bonds4

About 2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine

2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine (PubChem CID 117455719) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
PubChem CID117455719
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
SMILESCOc1c(CC2CCCCN2)cccc1S(C)(=O)=O
InChIInChI=1S/C14H21NO3S/c1-18-14-11(10-12-7-3-4-9-15-12)6-5-8-13(14)19(2,16)17/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3
InChIKeyDOTDJOJWRLOVPE-UHFFFAOYSA-N
XLogP1.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117455721
2-[[3-(1,1-difluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 117391311
2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine
CID 117482426
2-[(5-chloro-2-methylsulfonylphenyl)methyl]piperidine
CID 117464516
2-[(3-methyl-4-methylsulfonylphenyl)methyl]piperidine
CID 117422361
2-[[2-methoxy-3-(thiolan-3-yloxy)phenyl]methyl]piperidine
CID 117492500
2-[(2-cyclopropyloxy-3-methoxyphenyl)methyl]pyrrolidine
CID 117371410
2-[(2,4-dimethoxy-3-methylsulfanylphenyl)methyl]piperidine
CID 117451909
2-[(3-fluoro-4-methylsulfonylphenyl)methyl]piperidine
CID 117431316
2-[(3,6-dimethoxy-2-methylsulfonylphenyl)methyl]piperidine
CID 117498779
2-[[2-methoxy-3-(oxan-4-yloxy)phenyl]methyl]pyrrolidine
CID 117470858
2-[[3-methoxy-2-(oxan-4-yloxy)phenyl]methyl]piperidine
CID 117490817

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine?
The IUPAC name of 2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine (CID 117455719) is 2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine?
The canonical SMILES for 2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine is COc1c(CC2CCCCN2)cccc1S(C)(=O)=O.
What is the InChIKey of 2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine?
The InChIKey is DOTDJOJWRLOVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-18-14-11(10-12-7-3-4-9-15-12)6-5-8-13(14)19(2,16)17/h5-6,8,12,15H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine?
2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine has a molecular weight of 283.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-methylsulfonylphenyl)methyl]piperidine is sourced from PubChem (CID 117455719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).