4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol

C15H22N2O3S — CID 81108203

IUPAC4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc3c(c2)NCCC3)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(18)6-9-17(10-7-15)21(19,20)13-5-4-12-3-2-8-16-14(12)11-13/h4-5,11,16,18H,2-3,6-10H2,1H3
InChIKeyLQWKXGUJOGRPTP-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.58
Rot. Bonds2

About 4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol

4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol (PubChem CID 81108203) 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-7-ylsulfonyl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol
PubChem CID81108203
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol
SMILESCC1(O)CCN(S(=O)(=O)c2ccc3c(c2)NCCC3)CC1
InChIInChI=1S/C15H22N2O3S/c1-15(18)6-9-17(10-7-15)21(19,20)13-5-4-12-3-2-8-16-14(12)11-13/h4-5,11,16,18H,2-3,6-10H2,1H3
InChIKeyLQWKXGUJOGRPTP-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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Related Compounds

4-methyl-1-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)piperidin-4-ol
CID 81108199
7-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-1,2,3,4-tetrahydroquinoline
CID 79181143
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871391
1,2,3,4-tetrahydroquinoline-7-sulfonic acid;hydrate
CID 71328506
1-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115965542
6-piperidin-1-ylsulfonyl-1,2,3,4-tetrahydroquinoline
CID 7064078
2-[1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114798323
N-(1-methylcyclopropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 113485635
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81103770
4-methyl-1-(1,2,3,4-tetrahydroquinolin-5-ylsulfonyl)piperidin-4-ol
CID 104773938
4-(1,2,3,4-tetrahydroquinolin-6-ylsulfonyl)thiomorpholine
CID 43119943
6-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]-1,2,3,4-tetrahydroquinoline
CID 28940779

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol?
The IUPAC name of 4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol (CID 81108203) is 4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol?
The canonical SMILES for 4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol is CC1(O)CCN(S(=O)(=O)c2ccc3c(c2)NCCC3)CC1.
What is the InChIKey of 4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol?
The InChIKey is LQWKXGUJOGRPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(18)6-9-17(10-7-15)21(19,20)13-5-4-12-3-2-8-16-14(12)11-13/h4-5,11,16,18H,2-3,6-10H2,1H3.
What are the key properties of 4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-ylsulfonyl)piperidin-4-ol?
4-methyl-1-(1,2,3,4-tetrahydroquinolin-7-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-7-ylsulfonyl)piperidin-4-ol is sourced from PubChem (CID 81108203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).