1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol

C14H22N2O3S — CID 114679042

IUPAC1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
SMILESCC(N)c1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-10-9-16(8-7-14(10)17)20(18,19)13-5-3-12(4-6-13)11(2)15/h3-6,10-11,14,17H,7-9,15H2,1-2H3
InChIKeyHOTWXQUXBIEMKK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.10
Rot. Bonds3

About 1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol

1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol (PubChem CID 114679042) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
PubChem CID114679042
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol
SMILESCC(N)c1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cc1
InChIInChI=1S/C14H22N2O3S/c1-10-9-16(8-7-14(10)17)20(18,19)13-5-3-12(4-6-13)11(2)15/h3-6,10-11,14,17H,7-9,15H2,1-2H3
InChIKeyHOTWXQUXBIEMKK-UHFFFAOYSA-N
XLogP1.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114680539
1-[4-(1-aminoethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 43107139
1-[4-(4-methoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 43373233
3-methyl-1-[4-(methylaminomethyl)phenyl]sulfonylpiperidin-4-ol
CID 114679139
1-(3-amino-4-fluorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 114677569
1-[[6-(aminomethyl)-3-pyridinyl]sulfonyl]-3-methylpiperidin-4-ol
CID 114678175
1-[4-(4-ethoxypiperidin-1-yl)sulfonylphenyl]ethanamine
CID 61217736
1-[4-[4-(1-aminoethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 43102421
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
1-[4-(aminomethyl)phenyl]sulfonyl-4-methylpiperidin-3-ol
CID 102956939
1-(3-bromo-4-chlorophenyl)sulfonyl-3-methylpiperidin-4-ol
CID 106546810
1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
CID 62917135

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol (CID 114679042) is 1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol is CC(N)c1ccc(S(=O)(=O)N2CCC(O)C(C)C2)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol?
The InChIKey is HOTWXQUXBIEMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-9-16(8-7-14(10)17)20(18,19)13-5-3-12(4-6-13)11(2)15/h3-6,10-11,14,17H,7-9,15H2,1-2H3.
What are the key properties of 1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol?
1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol has a molecular weight of 298.41 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]sulfonyl-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).