N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

C14H26F3N3O2S — CID 119931699

IUPACN-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C14H26F3N3O2S/c1-23(21,22)20(11-14(15,16)17)13-4-8-19(9-5-13)10-12-2-6-18-7-3-12/h12-13,18H,2-11H2,1H3
InChIKeyYELMQEZPWXJOSN-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.27
Rot. Bonds5

About N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 119931699) has the molecular formula C14H26F3N3O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID119931699
Molecular FormulaC14H26F3N3O2S
Molecular Weight357.44 g/mol
Exact Mass357.17
IUPAC NameN-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(F)(F)F)C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C14H26F3N3O2S/c1-23(21,22)20(11-14(15,16)17)13-4-8-19(9-5-13)10-12-2-6-18-7-3-12/h12-13,18H,2-11H2,1H3
InChIKeyYELMQEZPWXJOSN-UHFFFAOYSA-N
XLogP1.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 120903377
N-(dimethylsulfamoyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43602828
1-(piperidin-4-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62967874
1-ethylsulfonyl-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 119930045
N-[1-(3-methylbut-2-enoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 56789010
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785684
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785686
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
4-(piperidin-4-ylmethyl)piperazine-1-sulfonamide
CID 119929956
N-[1-(3-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 119785672
1-[4-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 172604358

Frequently Asked Questions

What is the IUPAC name of N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 119931699) is N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is CS(=O)(=O)N(CC(F)(F)F)C1CCN(CC2CCNCC2)CC1.
What is the InChIKey of N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is YELMQEZPWXJOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O2S/c1-23(21,22)20(11-14(15,16)17)13-4-8-19(9-5-13)10-12-2-6-18-7-3-12/h12-13,18H,2-11H2,1H3.
What are the key properties of N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 119931699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).