[4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol

C17H28N2O4S — CID 137339136

IUPAC[4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCCOc1ccc(S(=O)(=O)N2CCC(CO)(CN(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O4S/c1-4-23-15-5-7-16(8-6-15)24(21,22)19-11-9-17(14-20,10-12-19)13-18(2)3/h5-8,20H,4,9-14H2,1-3H3
InChIKeyUPLLPLFAOVXJCO-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.41
Rot. Bonds7

About [4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol

[4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol (PubChem CID 137339136) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol
PubChem CID137339136
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC Name[4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol
SMILESCCOc1ccc(S(=O)(=O)N2CCC(CO)(CN(C)C)CC2)cc1
InChIInChI=1S/C17H28N2O4S/c1-4-23-15-5-7-16(8-6-15)24(21,22)19-11-9-17(14-20,10-12-19)13-18(2)3/h5-8,20H,4,9-14H2,1-3H3
InChIKeyUPLLPLFAOVXJCO-UHFFFAOYSA-N
XLogP1.41
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
CID 137334939
[4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol
CID 137335716
[1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
CID 137336937
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 78780224
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
1-tert-butyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 113074890
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
[1-[(4-ethoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243346
2-[4-[(dimethylamino)methyl]-4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 137340198
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585227
1-[4-(4-ethoxyphenoxy)phenyl]sulfonylpiperazine
CID 4738891

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol?
The IUPAC name of [4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol (CID 137339136) is [4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol?
The canonical SMILES for [4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol is CCOc1ccc(S(=O)(=O)N2CCC(CO)(CN(C)C)CC2)cc1.
What is the InChIKey of [4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol?
The InChIKey is UPLLPLFAOVXJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-4-23-15-5-7-16(8-6-15)24(21,22)19-11-9-17(14-20,10-12-19)13-18(2)3/h5-8,20H,4,9-14H2,1-3H3.
What are the key properties of [4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol?
[4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol has a molecular weight of 356.49 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol is sourced from PubChem (CID 137339136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).