N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine

C15H23FN2O2S — CID 115708819

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(Cc1cccc(F)c1)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23FN2O2S/c1-12(10-13-4-3-5-14(16)11-13)17-15-6-8-18(9-7-15)21(2,19)20/h3-5,11-12,15,17H,6-10H2,1-2H3
InChIKeyMXOHALPXADSSDM-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.77
Rot. Bonds5

About N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine

N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine (PubChem CID 115708819) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
PubChem CID115708819
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
SMILESCC(Cc1cccc(F)c1)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H23FN2O2S/c1-12(10-13-4-3-5-14(16)11-13)17-15-6-8-18(9-7-15)21(2,19)20/h3-5,11-12,15,17H,6-10H2,1-2H3
InChIKeyMXOHALPXADSSDM-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
N-[1-(4-bromophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 103779237
N-[1-(3-fluorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 114830841
N-[1-(3-fluorophenyl)propan-2-yl]-1,2-dimethylpiperidin-4-amine
CID 115723737
N-[1-(2-methylsulfanylphenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine
CID 86787422
N-[1-(3-fluorophenyl)propan-2-yl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 114830677
N-[1-(2,5-difluorophenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 43628813
3-[1-(3-fluorophenyl)propan-2-ylamino]cyclohexan-1-ol
CID 113260471
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
N-[1-(3-fluorophenyl)propan-2-yl]-2,3-dihydro-1H-inden-1-amine
CID 115708061
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine (CID 115708819) is N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine is CC(Cc1cccc(F)c1)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
The InChIKey is MXOHALPXADSSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-12(10-13-4-3-5-14(16)11-13)17-15-6-8-18(9-7-15)21(2,19)20/h3-5,11-12,15,17H,6-10H2,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine?
N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine has a molecular weight of 314.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 115708819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).