2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine

C16H25N3O3S — CID 120763163

IUPAC2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H25N3O3S/c1-22-16-8-4-3-7-14(16)15-13-17-9-12-19(15)23(20,21)18-10-5-2-6-11-18/h3-4,7-8,15,17H,2,5-6,9-13H2,1H3
InChIKeyVXNIAUCBBXHKSY-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.37
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine

2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine (PubChem CID 120763163) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
PubChem CID120763163
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H25N3O3S/c1-22-16-8-4-3-7-14(16)15-13-17-9-12-19(15)23(20,21)18-10-5-2-6-11-18/h3-4,7-8,15,17H,2,5-6,9-13H2,1H3
InChIKeyVXNIAUCBBXHKSY-UHFFFAOYSA-N
XLogP1.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-piperidin-1-ylsulfonylpiperazine
CID 120765131
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2,2-dimethylmorpholine
CID 120763328
1-(cyclohexylmethylsulfonyl)-2-(2-methoxyphenyl)piperazine
CID 120763181
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
4-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonylthiane 1,1-dioxide;hydrochloride
CID 120876689
1-(3-chloro-2-fluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763415
2-(2-methoxyphenyl)-1-(oxan-3-ylsulfonyl)piperazine;hydrochloride
CID 120876675
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine?
The IUPAC name of 2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine (CID 120763163) is 2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine is COc1ccccc1C1CNCCN1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine?
The InChIKey is VXNIAUCBBXHKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-22-16-8-4-3-7-14(16)15-13-17-9-12-19(15)23(20,21)18-10-5-2-6-11-18/h3-4,7-8,15,17H,2,5-6,9-13H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine?
2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine has a molecular weight of 339.46 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-piperidin-1-ylsulfonylpiperazine is sourced from PubChem (CID 120763163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).