4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol

C15H22N2O3S — CID 104773938

IUPAC4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(18)7-10-17(11-8-15)21(19,20)14-6-2-5-13-12(14)4-3-9-16-13/h2,5-6,16,18H,3-4,7-11H2,1H3
InChIKeyLLQGZQQOKSWIKG-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.58
Rot. Bonds2

About 4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol

4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol (PubChem CID 104773938) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
PubChem CID104773938
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(18)7-10-17(11-8-15)21(19,20)14-6-2-5-13-12(14)4-3-9-16-13/h2,5-6,16,18H,3-4,7-11H2,1H3
InChIKeyLLQGZQQOKSWIKG-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol?
The IUPAC name of 4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol (CID 104773938) is 4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol?
The canonical SMILES for 4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol is CC1(O)CCN(S(=O)(=O)c2cccc3c2CCCN3)CC1.
What is the InChIKey of 4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol?
The InChIKey is LLQGZQQOKSWIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(18)7-10-17(11-8-15)21(19,20)14-6-2-5-13-12(14)4-3-9-16-13/h2,5-6,16,18H,3-4,7-11H2,1H3.
What are the key properties of 4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol?
4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol has a molecular weight of 310.42 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol is sourced from PubChem (CID 104773938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).