[1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol

C19H32N2O3S — CID 137336937

IUPAC[1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
SMILESCCCCc1ccc(S(=O)(=O)N2CCC(CO)(CN(C)C)CC2)cc1
InChIInChI=1S/C19H32N2O3S/c1-4-5-6-17-7-9-18(10-8-17)25(23,24)21-13-11-19(16-22,12-14-21)15-20(2)3/h7-10,22H,4-6,11-16H2,1-3H3
InChIKeyUMAMEQMCUWZJAZ-UHFFFAOYSA-N
MW368.54 g/mol
LogP2.35
Rot. Bonds8

About [1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol

[1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol (PubChem CID 137336937) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is [1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
PubChem CID137336937
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name[1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
SMILESCCCCc1ccc(S(=O)(=O)N2CCC(CO)(CN(C)C)CC2)cc1
InChIInChI=1S/C19H32N2O3S/c1-4-5-6-17-7-9-18(10-8-17)25(23,24)21-13-11-19(16-22,12-14-21)15-20(2)3/h7-10,22H,4-6,11-16H2,1-3H3
InChIKeyUMAMEQMCUWZJAZ-UHFFFAOYSA-N
XLogP2.35
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(benzenesulfonyl)-4-[(dimethylamino)methyl]piperidin-4-yl]methanol
CID 137334939
[4-[(dimethylamino)methyl]-1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]methanol
CID 137339136
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
9-(4-butylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3777515
1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
[4-[(dimethylamino)methyl]-1-(6-methoxynaphthalen-2-yl)sulfonylpiperidin-4-yl]methanol
CID 137335716
1-(4-butylphenyl)sulfonylpiperidin-4-one
CID 59565035
2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84558276
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
2-[4-[(dimethylamino)methyl]-4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 137340198
(1R,2R,3R,4R)-3-[4-(4-butylphenyl)sulfonylpiperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124716449
1-(4-butylphenyl)sulfonyl-4-[4-chloro-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3841970

Frequently Asked Questions

What is the IUPAC name of [1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol (CID 137336937) is [1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol is CCCCc1ccc(S(=O)(=O)N2CCC(CO)(CN(C)C)CC2)cc1.
What is the InChIKey of [1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol?
The InChIKey is UMAMEQMCUWZJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-4-5-6-17-7-9-18(10-8-17)25(23,24)21-13-11-19(16-22,12-14-21)15-20(2)3/h7-10,22H,4-6,11-16H2,1-3H3.
What are the key properties of [1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol?
[1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol has a molecular weight of 368.54 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-butylphenyl)sulfonyl-4-[(dimethylamino)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 137336937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).