4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride

C10H13ClF3N3O — CID 11623348

IUPAC4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1cc(OC2CCNCC2)ncn1
InChIInChI=1S/C10H12F3N3O.ClH/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7;/h5-7,14H,1-4H2;1H
InChIKeyLRKYAUKEBQYJCK-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.05
Rot. Bonds2

About 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride

4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride (PubChem CID 11623348) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride
PubChem CID11623348
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1cc(OC2CCNCC2)ncn1
InChIInChI=1S/C10H12F3N3O.ClH/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7;/h5-7,14H,1-4H2;1H
InChIKeyLRKYAUKEBQYJCK-UHFFFAOYSA-N
XLogP2.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Methyl-propoxy)-2-isopropylamino-6-methyl pyrimidine
CID 58336918
4-(difluoromethoxy)-N-ethyl-6-methyl-2-pyrimidinamine
CID 759816
6-ethoxy-N-[1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine
CID 137887968
N-isopropyl-4-methoxy-6-(trifluoromethyl)-2-pyrimidinamine
CID 1483232
4-(Piperidin-4-yloxy)-6-(trifluoromethyl)pyrimidine
CID 11623349
2-Methylamino-4-(2,2,2-trifluorethoxy)-6-methylpyrimidine
CID 20189867
4-Methyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 21349937
4-[[6-(Trifluoromethyl)pyrimidine-4-yl]oxy]piperidine-1-carboxylic acid tert-butyl ester
CID 21906053
4-Methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
CID 58257072
4-[6-(Trifluoromethyl)pyrimidin-4-yl]oxybutan-1-ol
CID 59527371
N-[[6-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidin-4-yl]methyl]ethanamine
CID 67954613
4-[6-(Trifluoromethyl)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 69378620

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride?
The IUPAC name of 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride (CID 11623348) is 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride?
The canonical SMILES for 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride is Cl.FC(F)(F)c1cc(OC2CCNCC2)ncn1.
What is the InChIKey of 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride?
The InChIKey is LRKYAUKEBQYJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O.ClH/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7;/h5-7,14H,1-4H2;1H.
What are the key properties of 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride?
4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride has a molecular weight of 283.68 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 11623348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).