4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

C16H17F3N4O — CID 155823188

IUPAC4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCOc1cccc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1
InChIInChI=1S/C16H17F3N4O/c1-24-13-4-2-3-12(9-13)22-5-7-23(8-6-22)15-10-14(16(17,18)19)20-11-21-15/h2-4,9-11H,5-8H2,1H3
InChIKeyWYHIPMSBHQPPCS-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.83
Rot. Bonds3

About 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 155823188) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID155823188
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
SMILESCOc1cccc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1
InChIInChI=1S/C16H17F3N4O/c1-24-13-4-2-3-12(9-13)22-5-7-23(8-6-22)15-10-14(16(17,18)19)20-11-21-15/h2-4,9-11H,5-8H2,1H3
InChIKeyWYHIPMSBHQPPCS-UHFFFAOYSA-N
XLogP2.83
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine (CID 155823188) is 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine is COc1cccc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1.
What is the InChIKey of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is WYHIPMSBHQPPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-24-13-4-2-3-12(9-13)22-5-7-23(8-6-22)15-10-14(16(17,18)19)20-11-21-15/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine?
4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 338.33 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methoxyphenyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 155823188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).