1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine

C14H26F3N3O2S — CID 141068345

IUPAC1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine
SMILESCCC(C1CCNCC1)N1CCNCC1S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C14H26F3N3O2S/c1-2-12(11-3-5-18-6-4-11)20-8-7-19-9-13(20)23(21,22)10-14(15,16)17/h11-13,18-19H,2-10H2,1H3
InChIKeyNWXMPBGJOPMENG-UHFFFAOYSA-N
MW357.44 g/mol
LogP0.97
Rot. Bonds5

About 1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine

1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine (PubChem CID 141068345) has the molecular formula C14H26F3N3O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine
PubChem CID141068345
Molecular FormulaC14H26F3N3O2S
Molecular Weight357.44 g/mol
Exact Mass357.17
IUPAC Name1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine
SMILESCCC(C1CCNCC1)N1CCNCC1S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C14H26F3N3O2S/c1-2-12(11-3-5-18-6-4-11)20-8-7-19-9-13(20)23(21,22)10-14(15,16)17/h11-13,18-19H,2-10H2,1H3
InChIKeyNWXMPBGJOPMENG-UHFFFAOYSA-N
XLogP0.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine?
The IUPAC name of 1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine (CID 141068345) is 1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine.
What is the SMILES notation for 1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine?
The canonical SMILES for 1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine is CCC(C1CCNCC1)N1CCNCC1S(=O)(=O)CC(F)(F)F.
What is the InChIKey of 1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine?
The InChIKey is NWXMPBGJOPMENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O2S/c1-2-12(11-3-5-18-6-4-11)20-8-7-19-9-13(20)23(21,22)10-14(15,16)17/h11-13,18-19H,2-10H2,1H3.
What are the key properties of 1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine?
1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine has a molecular weight of 357.44 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-4-ylpropyl)-2-(2,2,2-trifluoroethylsulfonyl)piperazine is sourced from PubChem (CID 141068345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).