4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide

C14H28F3N3O2S — CID 162622253

IUPAC4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide
SMILESC(CC1CCNCC1)CC1CCNCC1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H26N2.CH2F3NO2S/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;2-1(3,4)8(5,6)7/h12-15H,1-11H2;(H2,5,6,7)
InChIKeyRQXRPALCGBYMES-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.95
Rot. Bonds4

About 4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide

4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide (PubChem CID 162622253) has the molecular formula C14H28F3N3O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide.

Molecular Properties

Compound Name4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide
PubChem CID162622253
Molecular FormulaC14H28F3N3O2S
Molecular Weight359.46 g/mol
Exact Mass359.19
IUPAC Name4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide
SMILESC(CC1CCNCC1)CC1CCNCC1.NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H26N2.CH2F3NO2S/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;2-1(3,4)8(5,6)7/h12-15H,1-11H2;(H2,5,6,7)
InChIKeyRQXRPALCGBYMES-UHFFFAOYSA-N
XLogP1.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide?
The IUPAC name of 4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide (CID 162622253) is 4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide.
What is the SMILES notation for 4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide?
The canonical SMILES for 4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide is C(CC1CCNCC1)CC1CCNCC1.NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide?
The InChIKey is RQXRPALCGBYMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.CH2F3NO2S/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13;2-1(3,4)8(5,6)7/h12-15H,1-11H2;(H2,5,6,7).
What are the key properties of 4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide?
4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide has a molecular weight of 359.46 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-4-ylpropyl)piperidine;trifluoromethanesulfonamide is sourced from PubChem (CID 162622253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).