4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol

C23H32N2O7S — CID 18678599

IUPAC4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol
SMILESCOc1ccc(S(=O)(=O)N2CCC(CNCC(O)COc3ccc(O)cc3)CC2)cc1OC
InChIInChI=1S/C23H32N2O7S/c1-30-22-8-7-21(13-23(22)31-2)33(28,29)25-11-9-17(10-12-25)14-24-15-19(27)16-32-20-5-3-18(26)4-6-20/h3-8,13,17,19,24,26-27H,9-12,14-16H2,1-2H3
InChIKeyCPHMQKZLQYLHCS-UHFFFAOYSA-N
MW480.58 g/mol
LogP1.84
Rot. Bonds11

About 4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol

4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol (PubChem CID 18678599) has the molecular formula C23H32N2O7S and a molecular weight of 480.58 g/mol. Its IUPAC name is 4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol.

Molecular Properties

Compound Name4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol
PubChem CID18678599
Molecular FormulaC23H32N2O7S
Molecular Weight480.58 g/mol
Exact Mass480.19
IUPAC Name4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol
SMILESCOc1ccc(S(=O)(=O)N2CCC(CNCC(O)COc3ccc(O)cc3)CC2)cc1OC
InChIInChI=1S/C23H32N2O7S/c1-30-22-8-7-21(13-23(22)31-2)33(28,29)25-11-9-17(10-12-25)14-24-15-19(27)16-32-20-5-3-18(26)4-6-20/h3-8,13,17,19,24,26-27H,9-12,14-16H2,1-2H3
InChIKeyCPHMQKZLQYLHCS-UHFFFAOYSA-N
XLogP1.84
TPSA117.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2S)-2-hydroxy-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]phenol
CID 70001951
4-[(2R)-2-hydroxy-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propoxy]phenol
CID 70000212
4-[(2R)-2-hydroxy-3-[[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]phenol
CID 70001665
N-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]nonanamide
CID 10257535
N-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]heptanamide
CID 10302672
1-hexyl-3-[4-[4-[[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]methyl]piperidin-1-yl]sulfonylphenyl]urea
CID 10231394
4-[3-[[1-(4-butoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-hydroxypropoxy]phenol
CID 18767785
4-[2-hydroxy-3-[[1-(3-methoxy-4-methylphenyl)sulfonylpiperidin-4-yl]methylamino]propoxy]-1,3-dihydrobenzimidazol-2-one
CID 59882992
N-(3,4-dimethoxyphenyl)-4-[4-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]piperidin-1-yl]benzenesulfonamide
CID 10120294
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
(2S)-1-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-3-[(2-methyl-2,3-dihydro-1H-indol-4-yl)oxy]propan-2-ol
CID 10141164
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol?
The IUPAC name of 4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol (CID 18678599) is 4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol.
What is the SMILES notation for 4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol?
The canonical SMILES for 4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol is COc1ccc(S(=O)(=O)N2CCC(CNCC(O)COc3ccc(O)cc3)CC2)cc1OC.
What is the InChIKey of 4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol?
The InChIKey is CPHMQKZLQYLHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O7S/c1-30-22-8-7-21(13-23(22)31-2)33(28,29)25-11-9-17(10-12-25)14-24-15-19(27)16-32-20-5-3-18(26)4-6-20/h3-8,13,17,19,24,26-27H,9-12,14-16H2,1-2H3.
What are the key properties of 4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol?
4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol has a molecular weight of 480.58 g/mol, XLogP of 1.84, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]methylamino]-2-hydroxypropoxy]phenol is sourced from PubChem (CID 18678599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).