1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine

C13H19FN2O3S — CID 122560429

IUPAC1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)CCOc2ccc(F)cc2)C1
InChIInChI=1S/C13H19FN2O3S/c14-11-3-5-13(6-4-11)19-8-9-20(17,18)16-7-1-2-12(15)10-16/h3-6,12H,1-2,7-10,15H2
InChIKeySFVVCTTXXXPSLM-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.96
Rot. Bonds5

About 1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine

1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine (PubChem CID 122560429) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine
PubChem CID122560429
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine
SMILESNC1CCCN(S(=O)(=O)CCOc2ccc(F)cc2)C1
InChIInChI=1S/C13H19FN2O3S/c14-11-3-5-13(6-4-11)19-8-9-20(17,18)16-7-1-2-12(15)10-16/h3-6,12H,1-2,7-10,15H2
InChIKeySFVVCTTXXXPSLM-UHFFFAOYSA-N
XLogP0.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylphenoxy)ethylsulfonyl]piperidin-3-amine;hydrochloride
CID 154905317
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide
CID 110306666
1-[4-(3-methylbutoxy)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 119959783
[1-[2-(4-fluorophenoxy)ethylsulfonyl]pyrrolidin-2-yl]-phenylmethanone
CID 110356428
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)ethoxy]aniline
CID 66394213
1-benzyl-4-[2-(4-fluorophenoxy)ethylsulfonyl]piperazine
CID 110299928
1-(4-fluorophenyl)-4-[2-(4-methoxyphenoxy)ethylsulfonyl]piperazine
CID 90518310
4-[2-(3-aminopiperidin-1-yl)ethoxy]benzenesulfonamide
CID 61295573
2-[1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole
CID 110308261
(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine
CID 102977594
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine (CID 122560429) is 1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine is NC1CCCN(S(=O)(=O)CCOc2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine?
The InChIKey is SFVVCTTXXXPSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c14-11-3-5-13(6-4-11)19-8-9-20(17,18)16-7-1-2-12(15)10-16/h3-6,12H,1-2,7-10,15H2.
What are the key properties of 1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine?
1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine has a molecular weight of 302.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethylsulfonyl]piperidin-3-amine is sourced from PubChem (CID 122560429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).