5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid

C11H13F4N3O2 — CID 170914932

IUPAC5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid
SMILESFc1cnc(C2CCNCC2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H12FN3.C2HF3O2/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7;3-2(4,5)1(6)7/h5-7,11H,1-4H2;(H,6,7)
InChIKeyZKEQQELAICEKFW-UHFFFAOYSA-N
MW295.24 g/mol
LogP1.72
Rot. Bonds1

About 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid

5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid (PubChem CID 170914932) has the molecular formula C11H13F4N3O2 and a molecular weight of 295.24 g/mol. Its IUPAC name is 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid
PubChem CID170914932
Molecular FormulaC11H13F4N3O2
Molecular Weight295.24 g/mol
Exact Mass295.09
IUPAC Name5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid
SMILESFc1cnc(C2CCNCC2)nc1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H12FN3.C2HF3O2/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7;3-2(4,5)1(6)7/h5-7,11H,1-4H2;(H,6,7)
InChIKeyZKEQQELAICEKFW-UHFFFAOYSA-N
XLogP1.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Azetidin-3-yl)-5-bromopyrimidine; bis(trifluoroacetic acid)
CID 134690900
4-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135571
4-[[(5-Fluoropyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135677
1-(5-Fluoropyrimidin-2-yl)piperidine-4-carboxylic acid
CID 60137806
5-Trifluoro-2-piperidin-4-ylpyrimidine
CID 71114360
2-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)pyrimidine
CID 84037976
2,2,2-Trifluoroacetic acid;8-[2-(trifluoromethyl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
CID 87439900
5-Fluoro-2-(piperidin-4-yl)pyrimidine
CID 89286485
(1-(2-Chloropyrimidin-4-yl)piperidin-4-yl)methanamine 2,2,2-trifluoroacetate
CID 89464480
[2-(5-Fluoropyrimidin-2-yl)cyclopropyl]methylcarbamic acid
CID 89802594
[1-(2-Chloro-5-fluoropyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid
CID 117677409
5-Fluoro-2-(piperidin-3-ylmethyl)pyrimidine
CID 129982685

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid (CID 170914932) is 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid is Fc1cnc(C2CCNCC2)nc1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid?
The InChIKey is ZKEQQELAICEKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3.C2HF3O2/c10-8-5-12-9(13-6-8)7-1-3-11-4-2-7;3-2(4,5)1(6)7/h5-7,11H,1-4H2;(H,6,7).
What are the key properties of 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid?
5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid has a molecular weight of 295.24 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-piperidin-4-ylpyrimidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170914932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).