1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine

C18H23N3O3S — CID 3717888

IUPAC1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C18H23N3O3S/c1-24-18-8-3-2-7-17(18)20-11-13-21(14-12-20)25(22,23)15-9-16-6-4-5-10-19-16/h2-8,10H,9,11-15H2,1H3
InChIKeyWZMIOECQBRBABB-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.78
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine

1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine (PubChem CID 3717888) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
PubChem CID3717888
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
SMILESCOc1ccccc1N1CCN(S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C18H23N3O3S/c1-24-18-8-3-2-7-17(18)20-11-13-21(14-12-20)25(22,23)15-9-16-6-4-5-10-19-16/h2-8,10H,9,11-15H2,1H3
InChIKeyWZMIOECQBRBABB-UHFFFAOYSA-N
XLogP1.78
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
1-benzylsulfonyl-4-(2-methoxyphenyl)piperazine
CID 669263
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
2-[4-(2-pyridin-2-ylethylsulfonyl)piperazin-1-yl]ethanethioamide
CID 63336516
1-(2-ethoxyphenyl)-4-(3-phenylpropylsulfonyl)piperazine
CID 113077400
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084
1-[(2,4-difluorophenyl)methylsulfonyl]-4-(2-methoxyphenyl)piperazine
CID 71905539
1-(2-methoxyphenyl)-4-[(E)-prop-1-enyl]sulfonylpiperazine
CID 167833255
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine (CID 3717888) is 1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine is COc1ccccc1N1CCN(S(=O)(=O)CCc2ccccn2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine?
The InChIKey is WZMIOECQBRBABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-24-18-8-3-2-7-17(18)20-11-13-21(14-12-20)25(22,23)15-9-16-6-4-5-10-19-16/h2-8,10H,9,11-15H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine?
1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine has a molecular weight of 361.47 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine is sourced from PubChem (CID 3717888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).