[1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol

C18H29NO3S — CID 111564963

IUPAC[1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCN2CCC(CO)CC2)cc1
InChIInChI=1S/C18H29NO3S/c1-18(2,3)16-4-6-17(7-5-16)23(21,22)13-12-19-10-8-15(14-20)9-11-19/h4-7,15,20H,8-14H2,1-3H3
InChIKeyYDGSOXJTBRCHGQ-UHFFFAOYSA-N
MW339.50 g/mol
LogP2.46
Rot. Bonds5

About [1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol

[1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol (PubChem CID 111564963) has the molecular formula C18H29NO3S and a molecular weight of 339.50 g/mol. Its IUPAC name is [1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol
PubChem CID111564963
Molecular FormulaC18H29NO3S
Molecular Weight339.50 g/mol
Exact Mass339.19
IUPAC Name[1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol
SMILESCC(C)(C)c1ccc(S(=O)(=O)CCN2CCC(CO)CC2)cc1
InChIInChI=1S/C18H29NO3S/c1-18(2,3)16-4-6-17(7-5-16)23(21,22)13-12-19-10-8-15(14-20)9-11-19/h4-7,15,20H,8-14H2,1-3H3
InChIKeyYDGSOXJTBRCHGQ-UHFFFAOYSA-N
XLogP2.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-4-ol
CID 29440148
1-[2-(4-methylphenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
CID 2822183
[1-[2-(4-bromophenyl)sulfonylethyl]piperidin-3-yl]methanol
CID 60642353
1-[2-(4-methylphenyl)sulfonylethyl]piperidine-4-carboxamide
CID 23735152
4-[2-(3-methoxypyrrolidin-1-yl)ethylsulfonyl]benzoic acid
CID 103540436
[(2S)-1-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpiperidin-2-yl]methanol
CID 99792176
1-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111760258
[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]methanol
CID 122463493
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(trifluoromethyl)piperidine
CID 597268
N-[2-(4-tert-butylphenyl)sulfonylethyl]cyclopropanamine
CID 64646432
1-[[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
CID 46287342
1-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
CID 154455916

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol (CID 111564963) is [1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol is CC(C)(C)c1ccc(S(=O)(=O)CCN2CCC(CO)CC2)cc1.
What is the InChIKey of [1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol?
The InChIKey is YDGSOXJTBRCHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3S/c1-18(2,3)16-4-6-17(7-5-16)23(21,22)13-12-19-10-8-15(14-20)9-11-19/h4-7,15,20H,8-14H2,1-3H3.
What are the key properties of [1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol?
[1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol has a molecular weight of 339.50 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-tert-butylphenyl)sulfonylethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 111564963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).