3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol

C12H17F3N4O — CID 52828410

IUPAC3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)10-2-3-16-11(17-10)19-7-5-18(6-8-19)4-1-9-20/h2-3,20H,1,4-9H2
InChIKeyJTEDWWFSWDTBRF-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.00
Rot. Bonds4

About 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol

3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol (PubChem CID 52828410) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol
PubChem CID52828410
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol
SMILESOCCCN1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)10-2-3-16-11(17-10)19-7-5-18(6-8-19)4-1-9-20/h2-3,20H,1,4-9H2
InChIKeyJTEDWWFSWDTBRF-UHFFFAOYSA-N
XLogP1.00
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol?
The IUPAC name of 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol (CID 52828410) is 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol is OCCCN1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol?
The InChIKey is JTEDWWFSWDTBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)10-2-3-16-11(17-10)19-7-5-18(6-8-19)4-1-9-20/h2-3,20H,1,4-9H2.
What are the key properties of 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol?
3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol has a molecular weight of 290.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 52828410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).