[1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine

C14H21FN2O3S — CID 115963486

IUPAC[1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)Cc2ccc(F)cc2)C(CN)C1
InChIInChI=1S/C14H21FN2O3S/c1-20-14-6-7-17(13(8-14)9-16)21(18,19)10-11-2-4-12(15)5-3-11/h2-5,13-14H,6-10,16H2,1H3
InChIKeyXTEDFUIRAYRYHC-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.09
Rot. Bonds5

About [1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine

[1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine (PubChem CID 115963486) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine
PubChem CID115963486
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name[1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine
SMILESCOC1CCN(S(=O)(=O)Cc2ccc(F)cc2)C(CN)C1
InChIInChI=1S/C14H21FN2O3S/c1-20-14-6-7-17(13(8-14)9-16)21(18,19)10-11-2-4-12(15)5-3-11/h2-5,13-14H,6-10,16H2,1H3
InChIKeyXTEDFUIRAYRYHC-UHFFFAOYSA-N
XLogP1.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine?
The IUPAC name of [1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine (CID 115963486) is [1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine is COC1CCN(S(=O)(=O)Cc2ccc(F)cc2)C(CN)C1.
What is the InChIKey of [1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine?
The InChIKey is XTEDFUIRAYRYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-20-14-6-7-17(13(8-14)9-16)21(18,19)10-11-2-4-12(15)5-3-11/h2-5,13-14H,6-10,16H2,1H3.
What are the key properties of [1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine?
[1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine has a molecular weight of 316.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methylsulfonyl]-4-methoxypiperidin-2-yl]methanamine is sourced from PubChem (CID 115963486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).