2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol

C18H29N3O3S — CID 1326978

IUPAC2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCN(CCO)CC3)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-16-2-4-18(5-3-16)25(23,24)21-8-6-17(7-9-21)20-12-10-19(11-13-20)14-15-22/h2-5,17,22H,6-15H2,1H3
InChIKeyYIKYNFWVMTXACM-UHFFFAOYSA-N
MW367.52 g/mol
LogP0.76
Rot. Bonds5

About 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol

2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 1326978) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol
PubChem CID1326978
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCN(CCO)CC3)CC2)cc1
InChIInChI=1S/C18H29N3O3S/c1-16-2-4-18(5-3-16)25(23,24)21-8-6-17(7-9-21)20-12-10-19(11-13-20)14-15-22/h2-5,17,22H,6-15H2,1H3
InChIKeyYIKYNFWVMTXACM-UHFFFAOYSA-N
XLogP0.76
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
1-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 16314918
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
1-(Mesitylsulfonyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 118308425
4-Methyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 141659835
4-Methyl-1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 141659839
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol
CID 146628071
1-[1-(4-tert-Butyl-benzenesulfonyl)-piperidin-4-yl]-4-methyl-piperazine
CID 1433375
N,4-dimethyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 2444416
N-methyl-N-(1-methylpiperidin-4-yl)-4-propylbenzenesulfonamide
CID 3731509
4-ethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzenesulfonamide
CID 9397008
4-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 20975181

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol (CID 1326978) is 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol is Cc1ccc(S(=O)(=O)N2CCC(N3CCN(CCO)CC3)CC2)cc1.
What is the InChIKey of 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is YIKYNFWVMTXACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-16-2-4-18(5-3-16)25(23,24)21-8-6-17(7-9-21)20-12-10-19(11-13-20)14-15-22/h2-5,17,22H,6-15H2,1H3.
What are the key properties of 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 367.52 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 1326978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).