(3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid

C13H22F3N3O3 — CID 167804382

IUPAC(3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCC1CCCNC1C(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N3O.C2HF3O2/c1-9-3-2-4-13-10(9)11(15)14-7-5-12-6-8-14;3-2(4,5)1(6)7/h9-10,12-13H,2-8H2,1H3;(H,6,7)
InChIKeyJUBDIIMELZYCTK-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.44
Rot. Bonds1

About (3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid

(3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 167804382) has the molecular formula C13H22F3N3O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is (3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID167804382
Molecular FormulaC13H22F3N3O3
Molecular Weight325.33 g/mol
Exact Mass325.16
IUPAC Name(3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCC1CCCNC1C(=O)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H21N3O.C2HF3O2/c1-9-3-2-4-13-10(9)11(15)14-7-5-12-6-8-14;3-2(4,5)1(6)7/h9-10,12-13H,2-8H2,1H3;(H,6,7)
InChIKeyJUBDIIMELZYCTK-UHFFFAOYSA-N
XLogP0.44
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid (CID 167804382) is (3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid is CC1CCCNC1C(=O)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is JUBDIIMELZYCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C2HF3O2/c1-9-3-2-4-13-10(9)11(15)14-7-5-12-6-8-14;3-2(4,5)1(6)7/h9-10,12-13H,2-8H2,1H3;(H,6,7).
What are the key properties of (3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid?
(3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 325.33 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-2-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167804382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).