1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol

C19H30N2O3S — CID 146628071

IUPAC1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(O)CC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2O3S/c1-14-12-15(2)19(16(3)13-14)25(23,24)21-10-4-17(5-11-21)20-8-6-18(22)7-9-20/h12-13,17-18,22H,4-11H2,1-3H3
InChIKeyHQOVEMZNOSPMKR-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.22
Rot. Bonds3

About 1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol

1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol (PubChem CID 146628071) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol
PubChem CID146628071
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Name1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(O)CC3)CC2)c(C)c1
InChIInChI=1S/C19H30N2O3S/c1-14-12-15(2)19(16(3)13-14)25(23,24)21-10-4-17(5-11-21)20-8-6-18(22)7-9-20/h12-13,17-18,22H,4-11H2,1-3H3
InChIKeyHQOVEMZNOSPMKR-UHFFFAOYSA-N
XLogP2.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol 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

1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
3-(1-(Mesitylsulfonyl)piperidin-4-yl)-6-methyl-1,3-oxazinane
CID 118308349
3,5-Dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308408
1-(Mesitylsulfonyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 118308425
2-[1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]ethanol
CID 138627960
2,4,6-trimethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]benzenesulfonamide
CID 146627892
4-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 20975181
1-Methyl-4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperazine
CID 118308410
4-Piperidin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine
CID 118308436
3-(1'-(Mesitylsulfonyl)-[1,4'-bipiperidin]-4-yl)propanenitrile
CID 118308348
2-Methyl-1-[(4-methylphenyl)sulfonyl]-4-piperidinol
CID 3143025

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol (CID 146628071) is 1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol is Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(O)CC3)CC2)c(C)c1.
What is the InChIKey of 1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol?
The InChIKey is HQOVEMZNOSPMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-14-12-15(2)19(16(3)13-14)25(23,24)21-10-4-17(5-11-21)20-8-6-18(22)7-9-20/h12-13,17-18,22H,4-11H2,1-3H3.
What are the key properties of 1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol?
1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol has a molecular weight of 366.53 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 146628071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).