3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)

C17H22F6N4O5 — CID 155848970

IUPAC3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(N2CCCCC2)nc(C2COCCN2)n1
InChIInChI=1S/C13H20N4O.2C2HF3O2/c1-2-7-17(8-3-1)12-4-5-15-13(16-12)11-10-18-9-6-14-11;2*3-2(4,5)1(6)7/h4-5,11,14H,1-3,6-10H2;2*(H,6,7)
InChIKeyLTAXEBXXCBMUDD-UHFFFAOYSA-N
MW476.37 g/mol
LogP2.39
Rot. Bonds2

About 3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)

3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155848970) has the molecular formula C17H22F6N4O5 and a molecular weight of 476.37 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
PubChem CID155848970
Molecular FormulaC17H22F6N4O5
Molecular Weight476.37 g/mol
Exact Mass476.15
IUPAC Name3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(N2CCCCC2)nc(C2COCCN2)n1
InChIInChI=1S/C13H20N4O.2C2HF3O2/c1-2-7-17(8-3-1)12-4-5-15-13(16-12)11-10-18-9-6-14-11;2*3-2(4,5)1(6)7/h4-5,11,14H,1-3,6-10H2;2*(H,6,7)
InChIKeyLTAXEBXXCBMUDD-UHFFFAOYSA-N
XLogP2.39
TPSA124.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.37
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-dimethylpropyl)-4-piperazin-1-ylpyrimidin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155539096
2-N-(2,2-dimethylpropyl)-4-N-piperidin-4-ylpyrimidine-2,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 155538988
N-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]pyrimidin-4-amine
CID 72876657
4-[4-(2-aminoethyl)piperazin-1-yl]-N-(2,2-dimethylpropyl)pyrimidin-2-amine;tris(2,2,2-trifluoroacetic acid)
CID 155559502
4-[4-(4-Hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56880424
9-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743078
ethyl 4-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
CID 164643114
2-[4-[(3R,5S)-4-carbamimidoyl-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethyl butanoate;2,2,2-trifluoroacetic acid
CID 22088619
1-Pyrimidin-4-yl-piperidin-4-ylamine trifluoroacetate
CID 22394384
Ethyl 2-[[1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methylamino]acetate
CID 54055633
4-Piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 87595101
4-Piperazin-1-yl-2-(trifluoromethyl)pyrimidine;2,2,2-trifluoroacetic acid;2-(trifluoromethyl)pyrimidine
CID 87767979

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid) (CID 155848970) is 3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(N2CCCCC2)nc(C2COCCN2)n1.
What is the InChIKey of 3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is LTAXEBXXCBMUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.2C2HF3O2/c1-2-7-17(8-3-1)12-4-5-15-13(16-12)11-10-18-9-6-14-11;2*3-2(4,5)1(6)7/h4-5,11,14H,1-3,6-10H2;2*(H,6,7).
What are the key properties of 3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)?
3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 476.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155848970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).