1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine

C16H25N3O3S — CID 154771454

IUPAC1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine
SMILESO=S(=O)(CC1CCOC1)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C16H25N3O3S/c20-23(21,14-16-4-12-22-13-16)19-10-8-18(9-11-19)7-3-15-1-5-17-6-2-15/h1-2,5-6,16H,3-4,7-14H2
InChIKeyQWVZXHBFLQUXKI-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.61
Rot. Bonds6

About 1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine

1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine (PubChem CID 154771454) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine.

Molecular Properties

Compound Name1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine
PubChem CID154771454
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine
SMILESO=S(=O)(CC1CCOC1)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C16H25N3O3S/c20-23(21,14-16-4-12-22-13-16)19-10-8-18(9-11-19)7-3-15-1-5-17-6-2-15/h1-2,5-6,16H,3-4,7-14H2
InChIKeyQWVZXHBFLQUXKI-UHFFFAOYSA-N
XLogP0.61
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]ethanol
CID 97217854
3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 71988746
1-[[(2R)-1-methylpiperidin-2-yl]methyl]-4-[[(3R)-oxolan-3-yl]methylsulfonyl]piperazine
CID 95322985
2-methyl-4-[[4-[[(3S)-oxolan-3-yl]methylsulfonyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 95317374
1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(2-pyridin-4-ylethyl)piperazine
CID 129378418
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
1-(3,4-difluorophenyl)-4-(oxolan-3-ylmethylsulfonyl)-1,4-diazepane
CID 126797313
1-(oxolan-3-ylmethylsulfonyl)-1,4-diazepane;hydrochloride
CID 119963176
4-(2-pyrrolidin-1-ylsulfonylethyl)pyridine
CID 62732930
1-(oxolan-3-ylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119959448
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylacetic acid
CID 60948108
4-[1-(cyclobutylmethylsulfonyl)piperidin-4-yl]pyridine
CID 126809932

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine?
The IUPAC name of 1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine (CID 154771454) is 1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine.
What is the SMILES notation for 1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine?
The canonical SMILES for 1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine is O=S(=O)(CC1CCOC1)N1CCN(CCc2ccncc2)CC1.
What is the InChIKey of 1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine?
The InChIKey is QWVZXHBFLQUXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c20-23(21,14-16-4-12-22-13-16)19-10-8-18(9-11-19)7-3-15-1-5-17-6-2-15/h1-2,5-6,16H,3-4,7-14H2.
What are the key properties of 1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine?
1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine has a molecular weight of 339.46 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethylsulfonyl)-4-(2-pyridin-4-ylethyl)piperazine is sourced from PubChem (CID 154771454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).