1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine

C14H22FN3O2S — CID 107520960

IUPAC1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCC(C(N)c1ccc(F)cc1)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H22FN3O2S/c1-11(14(16)12-3-5-13(15)6-4-12)17-7-9-18(10-8-17)21(2,19)20/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyXMTGEAMTQQKXMC-UHFFFAOYSA-N
MW315.41 g/mol
LogP0.79
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine

1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine (PubChem CID 107520960) has the molecular formula C14H22FN3O2S and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
PubChem CID107520960
Molecular FormulaC14H22FN3O2S
Molecular Weight315.41 g/mol
Exact Mass315.14
IUPAC Name1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCC(C(N)c1ccc(F)cc1)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H22FN3O2S/c1-11(14(16)12-3-5-13(15)6-4-12)17-7-9-18(10-8-17)21(2,19)20/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyXMTGEAMTQQKXMC-UHFFFAOYSA-N
XLogP0.79
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 16790834
1-(3-fluorophenyl)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 62993250
2-(3,5-difluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 106528646
1-[1-(4-fluorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 42950771
2-(4-methylsulfonylpiperazin-1-yl)-1-phenylpropan-1-ol
CID 62992614
2-(3-fluoro-4-methylphenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63649121
1-(2,4-difluorophenyl)sulfonyl-4-[(1R)-1-(4-fluorophenyl)ethyl]piperazine
CID 8771509
4-[bis(4-fluorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 35315029
(1S)-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 7129632
2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
CID 16786190
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
1-(3,4-difluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 107520951

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine (CID 107520960) is 1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine is CC(C(N)c1ccc(F)cc1)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The InChIKey is XMTGEAMTQQKXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2S/c1-11(14(16)12-3-5-13(15)6-4-12)17-7-9-18(10-8-17)21(2,19)20/h3-6,11,14H,7-10,16H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine has a molecular weight of 315.41 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 107520960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).