(1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol

C23H22F3N3O — CID 11954416

IUPAC(1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol
SMILESOC(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H22F3N3O/c24-23(25,26)20-8-6-17(7-9-20)16-2-4-18(5-3-16)21(30)19-10-14-29(15-11-19)22-27-12-1-13-28-22/h1-9,12-13,19,21,30H,10-11,14-15H2
InChIKeyVPHHSGROSSYJCL-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.11
Rot. Bonds4

About (1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol

(1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol (PubChem CID 11954416) has the molecular formula C23H22F3N3O and a molecular weight of 413.44 g/mol. Its IUPAC name is (1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name(1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol
PubChem CID11954416
Molecular FormulaC23H22F3N3O
Molecular Weight413.44 g/mol
Exact Mass413.17
IUPAC Name(1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol
SMILESOC(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H22F3N3O/c24-23(25,26)20-8-6-17(7-9-20)16-2-4-18(5-3-16)21(30)19-10-14-29(15-11-19)22-27-12-1-13-28-22/h1-9,12-13,19,21,30H,10-11,14-15H2
InChIKeyVPHHSGROSSYJCL-UHFFFAOYSA-N
XLogP5.11
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol?
The IUPAC name of (1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol (CID 11954416) is (1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol.
What is the SMILES notation for (1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol?
The canonical SMILES for (1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol is OC(c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of (1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol?
The InChIKey is VPHHSGROSSYJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O/c24-23(25,26)20-8-6-17(7-9-20)16-2-4-18(5-3-16)21(30)19-10-14-29(15-11-19)22-27-12-1-13-28-22/h1-9,12-13,19,21,30H,10-11,14-15H2.
What are the key properties of (1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol?
(1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol has a molecular weight of 413.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrimidin-2-ylpiperidin-4-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanol is sourced from PubChem (CID 11954416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).