1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol

C10H11ClF3N3O — CID 106767029

IUPAC1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H11ClF3N3O/c11-7-5-8(16-9(15-7)10(12,13)14)17-3-1-6(18)2-4-17/h5-6,18H,1-4H2
InChIKeySIAGIVKVLCVHGM-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.11
Rot. Bonds1

About 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol

1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol (PubChem CID 106767029) has the molecular formula C10H11ClF3N3O and a molecular weight of 281.67 g/mol. Its IUPAC name is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
PubChem CID106767029
Molecular FormulaC10H11ClF3N3O
Molecular Weight281.67 g/mol
Exact Mass281.05
IUPAC Name1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
SMILESOC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H11ClF3N3O/c11-7-5-8(16-9(15-7)10(12,13)14)17-3-1-6(18)2-4-17/h5-6,18H,1-4H2
InChIKeySIAGIVKVLCVHGM-UHFFFAOYSA-N
XLogP2.11
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol (CID 106767029) is 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol is OC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
The InChIKey is SIAGIVKVLCVHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O/c11-7-5-8(16-9(15-7)10(12,13)14)17-3-1-6(18)2-4-17/h5-6,18H,1-4H2.
What are the key properties of 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol?
1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 281.67 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 106767029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).