1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol

C12H18N2O3S — CID 16789662

IUPAC1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol
SMILESNCc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C12H18N2O3S/c13-9-10-1-3-12(4-2-10)18(16,17)14-7-5-11(15)6-8-14/h1-4,11,15H,5-9,13H2
InChIKeySYPALRBQWMOMQF-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.29
Rot. Bonds3

About 1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol

1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol (PubChem CID 16789662) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol
PubChem CID16789662
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol
SMILESNCc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C12H18N2O3S/c13-9-10-1-3-12(4-2-10)18(16,17)14-7-5-11(15)6-8-14/h1-4,11,15H,5-9,13H2
InChIKeySYPALRBQWMOMQF-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol?
The IUPAC name of 1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol (CID 16789662) is 1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol is NCc1ccc(S(=O)(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol?
The InChIKey is SYPALRBQWMOMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-9-10-1-3-12(4-2-10)18(16,17)14-7-5-11(15)6-8-14/h1-4,11,15H,5-9,13H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol?
1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol has a molecular weight of 270.35 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]sulfonylpiperidin-4-ol is sourced from PubChem (CID 16789662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).