1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine

C14H20FNO3S — CID 71782918

IUPAC1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO3S/c1-19-10-12-6-8-16(9-7-12)20(17,18)11-13-2-4-14(15)5-3-13/h2-5,12H,6-11H2,1H3
InChIKeyJKPPKABVEOXJEO-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.01
Rot. Bonds5

About 1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine

1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine (PubChem CID 71782918) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
PubChem CID71782918
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H20FNO3S/c1-19-10-12-6-8-16(9-7-12)20(17,18)11-13-2-4-14(15)5-3-13/h2-5,12H,6-11H2,1H3
InChIKeyJKPPKABVEOXJEO-UHFFFAOYSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine (CID 71782918) is 1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine is COCC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine?
The InChIKey is JKPPKABVEOXJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-19-10-12-6-8-16(9-7-12)20(17,18)11-13-2-4-14(15)5-3-13/h2-5,12H,6-11H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine?
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine has a molecular weight of 301.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine is sourced from PubChem (CID 71782918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).