2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride

C15H21ClF2N2O3S — CID 119561309

IUPAC2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1.Cl
InChIInChI=1S/C15H20F2N2O3S.ClH/c1-18-12-6-8-19(9-7-12)14(20)10-11-2-4-13(5-3-11)23(21,22)15(16)17;/h2-5,12,15,18H,6-10H2,1H3;1H
InChIKeySRTTWYKWFDLQLQ-UHFFFAOYSA-N
MW382.86 g/mol
LogP1.86
Rot. Bonds5

About 2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride

2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119561309) has the molecular formula C15H21ClF2N2O3S and a molecular weight of 382.86 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119561309
Molecular FormulaC15H21ClF2N2O3S
Molecular Weight382.86 g/mol
Exact Mass382.09
IUPAC Name2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1.Cl
InChIInChI=1S/C15H20F2N2O3S.ClH/c1-18-12-6-8-19(9-7-12)14(20)10-11-2-4-13(5-3-11)23(21,22)15(16)17;/h2-5,12,15,18H,6-10H2,1H3;1H
InChIKeySRTTWYKWFDLQLQ-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(difluoromethylsulfonyl)phenyl]ethanone
CID 119410753
2-(4-cyclopropylphenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 170984520
1-[4-(methylamino)piperidin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 119562587
1-(7-cyclopropyl-1,4-oxazepan-4-yl)-2-[4-(difluoromethylsulfonyl)phenyl]ethanone
CID 167836873
1-[4-[4-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-3-methylbutan-1-one
CID 133305587
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562540
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[4-(difluoromethylsulfonyl)phenyl]ethanone;hydrochloride
CID 119435666
2-[4-(difluoromethylsulfonyl)phenyl]-N-piperidin-3-ylacetamide
CID 119426046
(2R,3R)-1-[2-[4-(difluoromethylsulfonyl)phenyl]acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116006
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride (CID 119561309) is 2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is CNC1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1.Cl.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is SRTTWYKWFDLQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S.ClH/c1-18-12-6-8-19(9-7-12)14(20)10-11-2-4-13(5-3-11)23(21,22)15(16)17;/h2-5,12,15,18H,6-10H2,1H3;1H.
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 382.86 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119561309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).