N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide

C16H27N3O2S — CID 71986980

IUPACN-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C)c1ccccc1CN1CCC(N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C16H27N3O2S/c1-17(2)16-8-6-5-7-14(16)13-19-11-9-15(10-12-19)18(3)22(4,20)21/h5-8,15H,9-13H2,1-4H3
InChIKeyVZDGEZDIVYCKEN-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.61
Rot. Bonds5

About N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 71986980) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID71986980
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC NameN-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCN(C)c1ccccc1CN1CCC(N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C16H27N3O2S/c1-17(2)16-8-6-5-7-14(16)13-19-11-9-15(10-12-19)18(3)22(4,20)21/h5-8,15H,9-13H2,1-4H3
InChIKeyVZDGEZDIVYCKEN-UHFFFAOYSA-N
XLogP1.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163349605
N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 48736556
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
N-(1-benzylpiperidin-4-yl)-3-fluoro-N-methylpropane-1-sulfonamide
CID 84585904
1-benzyl-1-[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]urea
CID 70109355
N-[1-[2-(3-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 71986979
N-methyl-N-[1-[[6-(2-methylpropyl)-3-pyridinyl]methyl]piperidin-4-yl]methanesulfonamide
CID 154770803
(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770437
1-[(2-bromo-3-methylphenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 172648455
4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine
CID 56745274
tert-butyl N-[1-[[2-[methyl(propan-2-yl)amino]phenyl]methyl]piperidin-4-yl]carbamate
CID 58006279
2-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylaniline;hydrochloride
CID 120780771

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 71986980) is N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide is CN(C)c1ccccc1CN1CCC(N(C)S(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is VZDGEZDIVYCKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-17(2)16-8-6-5-7-14(16)13-19-11-9-15(10-12-19)18(3)22(4,20)21/h5-8,15H,9-13H2,1-4H3.
What are the key properties of N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 325.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(dimethylamino)phenyl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71986980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).