8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline

C17H22N2O3S — CID 167992909

IUPAC8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline
SMILESCOCC1CCN(c2ccc(S(C)(=O)=O)c3cccnc23)CC1
InChIInChI=1S/C17H22N2O3S/c1-22-12-13-7-10-19(11-8-13)15-5-6-16(23(2,20)21)14-4-3-9-18-17(14)15/h3-6,9,13H,7-8,10-12H2,1-2H3
InChIKeySPZHSXRJCNOADQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.50
Rot. Bonds4

About 8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline

8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline (PubChem CID 167992909) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline.

Molecular Properties

Compound Name8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline
PubChem CID167992909
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline
SMILESCOCC1CCN(c2ccc(S(C)(=O)=O)c3cccnc23)CC1
InChIInChI=1S/C17H22N2O3S/c1-22-12-13-7-10-19(11-8-13)15-5-6-16(23(2,20)21)14-4-3-9-18-17(14)15/h3-6,9,13H,7-8,10-12H2,1-2H3
InChIKeySPZHSXRJCNOADQ-UHFFFAOYSA-N
XLogP2.50
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(bromomethyl)piperidin-1-yl]-3-methylsulfonylpyridine
CID 114599919
3-(chloromethyl)-2-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 63971575
3-[3-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine
CID 104540458
3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 71977831
imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane
CID 166561846
[2-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-3-pyridinyl]hydrazine
CID 103301600
1-[1-(8-methoxyquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 154864069
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 114599563
5-(cyclobutylmethoxy)quinoline-8-sulfonamide
CID 103045327
4-(chloromethyl)-1-[4-(methoxymethyl)piperidin-1-yl]isoquinoline
CID 106769214
2-[4-(methoxymethyl)piperidin-1-yl]benzoic acid
CID 63971544
[1-(8-methylquinolin-5-yl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963849

Frequently Asked Questions

What is the IUPAC name of 8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline?
The IUPAC name of 8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline (CID 167992909) is 8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline.
What is the SMILES notation for 8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline?
The canonical SMILES for 8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline is COCC1CCN(c2ccc(S(C)(=O)=O)c3cccnc23)CC1.
What is the InChIKey of 8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline?
The InChIKey is SPZHSXRJCNOADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-22-12-13-7-10-19(11-8-13)15-5-6-16(23(2,20)21)14-4-3-9-18-17(14)15/h3-6,9,13H,7-8,10-12H2,1-2H3.
What are the key properties of 8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline?
8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline has a molecular weight of 334.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(methoxymethyl)piperidin-1-yl]-5-methylsulfonylquinoline is sourced from PubChem (CID 167992909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).