2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride

C10H13ClF3N3O — CID 67530341

IUPAC2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(OC2CCNCC2)nc1
InChIInChI=1S/C10H12F3N3O.ClH/c11-10(12,13)7-5-15-9(16-6-7)17-8-1-3-14-4-2-8;/h5-6,8,14H,1-4H2;1H
InChIKeyHEDROQRHGKFLKE-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.05
Rot. Bonds2

About 2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride

2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride (PubChem CID 67530341) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride
PubChem CID67530341
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(OC2CCNCC2)nc1
InChIInChI=1S/C10H12F3N3O.ClH/c11-10(12,13)7-5-15-9(16-6-7)17-8-1-3-14-4-2-8;/h5-6,8,14H,1-4H2;1H
InChIKeyHEDROQRHGKFLKE-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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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride?
The IUPAC name of 2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride (CID 67530341) is 2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride?
The canonical SMILES for 2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride is Cl.FC(F)(F)c1cnc(OC2CCNCC2)nc1.
What is the InChIKey of 2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride?
The InChIKey is HEDROQRHGKFLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O.ClH/c11-10(12,13)7-5-15-9(16-6-7)17-8-1-3-14-4-2-8;/h5-6,8,14H,1-4H2;1H.
What are the key properties of 2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride?
2-piperidin-4-yloxy-5-(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 2-piperidin-4-yloxy-5-(trifluoromethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 67530341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).