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

C12H16F3N3O — CID 131984695

IUPAC(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESC[C@H](O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15/h6-9,19H,2-5H2,1H3/t8-/m0/s1
InChIKeyCBERLDITLDYMLT-QMMMGPOBSA-N
MW275.27 g/mol
LogP2.09
Rot. Bonds2

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

(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol (PubChem CID 131984695) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is (1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
PubChem CID131984695
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol
SMILESC[C@H](O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C12H16F3N3O/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15/h6-9,19H,2-5H2,1H3/t8-/m0/s1
InChIKeyCBERLDITLDYMLT-QMMMGPOBSA-N
XLogP2.09
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol (CID 131984695) is (1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol is C[C@H](O)C1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
The InChIKey is CBERLDITLDYMLT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-8(19)9-2-4-18(5-3-9)11-16-6-10(7-17-11)12(13,14)15/h6-9,19H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol?
(1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol has a molecular weight of 275.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 131984695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).