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

C10H12Cl2F3N3O — CID 103596137

IUPAC5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1ncnc(OC2CCNCC2)c1Cl
InChIInChI=1S/C10H11ClF3N3O.ClH/c11-7-8(10(12,13)14)16-5-17-9(7)18-6-1-3-15-4-2-6;/h5-6,15H,1-4H2;1H
InChIKeySOQMBQZGBTYZAX-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.70
Rot. Bonds2

About 5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride

5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride (PubChem CID 103596137) has the molecular formula C10H12Cl2F3N3O and a molecular weight of 318.13 g/mol. Its IUPAC name is 5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride
PubChem CID103596137
Molecular FormulaC10H12Cl2F3N3O
Molecular Weight318.13 g/mol
Exact Mass317.03
IUPAC Name5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1ncnc(OC2CCNCC2)c1Cl
InChIInChI=1S/C10H11ClF3N3O.ClH/c11-7-8(10(12,13)14)16-5-17-9(7)18-6-1-3-15-4-2-6;/h5-6,15H,1-4H2;1H
InChIKeySOQMBQZGBTYZAX-UHFFFAOYSA-N
XLogP2.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4,6-di(piperidin-4-yloxy)pyrimidine
CID 58484436
5-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine
CID 146287006
4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
CID 66327607
4-iodo-5-methoxy-6-piperidin-4-yloxypyrimidine
CID 88897202
5-bromo-2-pyrrolidin-3-yloxy-3-(trifluoromethyl)pyrazine
CID 167350738
4-piperidin-4-yloxythieno[3,2-d]pyrimidine
CID 62344427
2-methyl-3-piperidin-4-yloxypyrazine;hydrochloride
CID 71639336
4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride
CID 66593025
4-[3-chloro-2-fluoro-5-(trifluoromethyl)phenoxy]piperidine;hydrochloride
CID 118353819
5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
CID 163866789
2-piperidin-4-yloxy-4-(trifluoromethyl)pyridine
CID 66330077
4-piperidin-4-yloxy-2-(trifluoromethyl)pyrimidine
CID 169314957

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride?
The IUPAC name of 5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride (CID 103596137) is 5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride?
The canonical SMILES for 5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride is Cl.FC(F)(F)c1ncnc(OC2CCNCC2)c1Cl.
What is the InChIKey of 5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride?
The InChIKey is SOQMBQZGBTYZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O.ClH/c11-7-8(10(12,13)14)16-5-17-9(7)18-6-1-3-15-4-2-6;/h5-6,15H,1-4H2;1H.
What are the key properties of 5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride?
5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride has a molecular weight of 318.13 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-piperidin-4-yloxy-6-(trifluoromethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 103596137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).