1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol

C15H23NO4S — CID 60873819

IUPAC1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
SMILESCCC(O)c1cccc(S(=O)(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C15H23NO4S/c1-3-15(17)12-5-4-6-14(11-12)21(18,19)16-9-7-13(20-2)8-10-16/h4-6,11,13,15,17H,3,7-10H2,1-2H3
InChIKeyBSHJSZPDAIHTAH-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.93
Rot. Bonds5

About 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol

1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol (PubChem CID 60873819) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol.

Molecular Properties

Compound Name1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
PubChem CID60873819
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
SMILESCCC(O)c1cccc(S(=O)(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C15H23NO4S/c1-3-15(17)12-5-4-6-14(11-12)21(18,19)16-9-7-13(20-2)8-10-16/h4-6,11,13,15,17H,3,7-10H2,1-2H3
InChIKeyBSHJSZPDAIHTAH-UHFFFAOYSA-N
XLogP1.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]sulfonylphenyl]propan-1-ol
CID 114799335
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-one
CID 60873455
1-[3-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217564
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 62124171
1-[1-[3-(1-aminoethyl)phenyl]sulfonylpiperidin-4-yl]ethanol
CID 106836366
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
1-[3-(1-aminopropyl)phenyl]sulfonylpyrrolidin-3-ol
CID 62944000
1-[3-(3-ethylmorpholin-4-yl)sulfonylphenyl]propan-1-ol
CID 60874201
3-(4-ethoxypiperidin-1-yl)sulfonylbenzoic acid
CID 61216502
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674
1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43373233
1-[1-(3-propan-2-ylphenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974927

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol?
The IUPAC name of 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol (CID 60873819) is 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol.
What is the SMILES notation for 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol?
The canonical SMILES for 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol is CCC(O)c1cccc(S(=O)(=O)N2CCC(OC)CC2)c1.
What is the InChIKey of 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol?
The InChIKey is BSHJSZPDAIHTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-15(17)12-5-4-6-14(11-12)21(18,19)16-9-7-13(20-2)8-10-16/h4-6,11,13,15,17H,3,7-10H2,1-2H3.
What are the key properties of 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol?
1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol has a molecular weight of 313.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol is sourced from PubChem (CID 60873819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).