ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol

C16H28F3N3O — CID 155573664

IUPACethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESCC.CC.CC(O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O.2C2H6/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15;2*1-2/h6-9,19H,2-5H2,1H3;2*1-2H3
InChIKeyADBBGYZLYJAQDT-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.14
Rot. Bonds2

About ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol

ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol (PubChem CID 155573664) has the molecular formula C16H28F3N3O and a molecular weight of 335.41 g/mol. Its IUPAC name is ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Nameethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
PubChem CID155573664
Molecular FormulaC16H28F3N3O
Molecular Weight335.41 g/mol
Exact Mass335.22
IUPAC Nameethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESCC.CC.CC(O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O.2C2H6/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15;2*1-2/h6-9,19H,2-5H2,1H3;2*1-2H3
InChIKeyADBBGYZLYJAQDT-UHFFFAOYSA-N
XLogP4.14
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol (CID 155573664) is ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol is CC.CC.CC(O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The InChIKey is ADBBGYZLYJAQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O.2C2H6/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15;2*1-2/h6-9,19H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol has a molecular weight of 335.41 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 155573664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).