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

C15H23NO4S — CID 102970802

IUPAC3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
SMILESCOC1CCCN(S(=O)(=O)c2ccc(CCCO)cc2)C1
InChIInChI=1S/C15H23NO4S/c1-20-14-5-2-10-16(12-14)21(18,19)15-8-6-13(7-9-15)4-3-11-17/h6-9,14,17H,2-5,10-12H2,1H3
InChIKeyVBQMHLNDCQNILQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.41
Rot. Bonds6

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

3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol (PubChem CID 102970802) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
PubChem CID102970802
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
SMILESCOC1CCCN(S(=O)(=O)c2ccc(CCCO)cc2)C1
InChIInChI=1S/C15H23NO4S/c1-20-14-5-2-10-16(12-14)21(18,19)15-8-6-13(7-9-15)4-3-11-17/h6-9,14,17H,2-5,10-12H2,1H3
InChIKeyVBQMHLNDCQNILQ-UHFFFAOYSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933
1-(4-dodecylphenyl)sulfonyl-3-ethylpiperidine
CID 67670447
2-[1-[4-(2-aminoethyl)phenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227334
2-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]ethanol
CID 102970782
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970851
[4-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanol
CID 106589877
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
1-(4-bromo-3-fluorophenyl)sulfonyl-3-methoxypiperidine
CID 103697564
3-[3-(3-methoxypiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 102964098
1-(4-chlorophenyl)sulfonyl-N-[3-(4-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 55920266

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol?
The IUPAC name of 3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol (CID 102970802) is 3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol.
What is the SMILES notation for 3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol?
The canonical SMILES for 3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol is COC1CCCN(S(=O)(=O)c2ccc(CCCO)cc2)C1.
What is the InChIKey of 3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol?
The InChIKey is VBQMHLNDCQNILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-20-14-5-2-10-16(12-14)21(18,19)15-8-6-13(7-9-15)4-3-11-17/h6-9,14,17H,2-5,10-12H2,1H3.
What are the key properties of 3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol?
3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol has a molecular weight of 313.42 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol is sourced from PubChem (CID 102970802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).