2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride

C10H13ClF3N3 — CID 155859066

IUPAC2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(C2CCCCN2)nc1
InChIInChI=1S/C10H12F3N3.ClH/c11-10(12,13)7-5-15-9(16-6-7)8-3-1-2-4-14-8;/h5-6,8,14H,1-4H2;1H
InChIKeyQPVFQXOCVBOFQF-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.73
Rot. Bonds1

About 2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride

2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride (PubChem CID 155859066) has the molecular formula C10H13ClF3N3 and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride
PubChem CID155859066
Molecular FormulaC10H13ClF3N3
Molecular Weight267.68 g/mol
Exact Mass267.08
IUPAC Name2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1cnc(C2CCCCN2)nc1
InChIInChI=1S/C10H12F3N3.ClH/c11-10(12,13)7-5-15-9(16-6-7)8-3-1-2-4-14-8;/h5-6,8,14H,1-4H2;1H
InChIKeyQPVFQXOCVBOFQF-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride?
The IUPAC name of 2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride (CID 155859066) is 2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride?
The canonical SMILES for 2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride is Cl.FC(F)(F)c1cnc(C2CCCCN2)nc1.
What is the InChIKey of 2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride?
The InChIKey is QPVFQXOCVBOFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3.ClH/c11-10(12,13)7-5-15-9(16-6-7)8-3-1-2-4-14-8;/h5-6,8,14H,1-4H2;1H.
What are the key properties of 2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride?
2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride has a molecular weight of 267.68 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-5-(trifluoromethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 155859066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).