N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide

C21H27FN2O2S — CID 123168932

IUPACN-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccc(CN2CCC(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H27FN2O2S/c1-16(23-27(2,25)26)18-5-3-17(4-6-18)15-24-13-11-20(12-14-24)19-7-9-21(22)10-8-19/h3-10,16,20,23H,11-15H2,1-2H3
InChIKeySCZGMQUUZDNHHQ-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.82
Rot. Bonds6

About N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide

N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide (PubChem CID 123168932) has the molecular formula C21H27FN2O2S and a molecular weight of 390.52 g/mol. Its IUPAC name is N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide
PubChem CID123168932
Molecular FormulaC21H27FN2O2S
Molecular Weight390.52 g/mol
Exact Mass390.18
IUPAC NameN-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccc(CN2CCC(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C21H27FN2O2S/c1-16(23-27(2,25)26)18-5-3-17(4-6-18)15-24-13-11-20(12-14-24)19-7-9-21(22)10-8-19/h3-10,16,20,23H,11-15H2,1-2H3
InChIKeySCZGMQUUZDNHHQ-UHFFFAOYSA-N
XLogP3.82
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 99943201
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94024334
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride
CID 162313172
3-(4-fluorophenyl)-1-[[4-[(2S)-1,1,1-trifluoro-3-methylsulfonylpropan-2-yl]phenyl]methyl]piperidine;hydrochloride
CID 158182272
N-[(1R)-1-[3-[[3-(3,4-difluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide;hydrochloride
CID 158888011
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-[(2S)-2-hydroxypropyl]methanesulfonamide
CID 125422258

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide (CID 123168932) is N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide is CC(NS(C)(=O)=O)c1ccc(CN2CCC(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide?
The InChIKey is SCZGMQUUZDNHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2S/c1-16(23-27(2,25)26)18-5-3-17(4-6-18)15-24-13-11-20(12-14-24)19-7-9-21(22)10-8-19/h3-10,16,20,23H,11-15H2,1-2H3.
What are the key properties of N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide?
N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide has a molecular weight of 390.52 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 123168932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).