[3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol

C18H19F4N3O — CID 56748960

IUPAC[3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C18H19F4N3O/c19-14-5-2-1-4-13(14)10-17(12-26)7-3-9-25(11-17)16-23-8-6-15(24-16)18(20,21)22/h1-2,4-6,8,26H,3,7,9-12H2
InChIKeyUSPOWERYFKEZGI-UHFFFAOYSA-N
MW369.36 g/mol
LogP3.46
Rot. Bonds4

About [3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol

[3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol (PubChem CID 56748960) has the molecular formula C18H19F4N3O and a molecular weight of 369.36 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol
PubChem CID56748960
Molecular FormulaC18H19F4N3O
Molecular Weight369.36 g/mol
Exact Mass369.15
IUPAC Name[3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C18H19F4N3O/c19-14-5-2-1-4-13(14)10-17(12-26)7-3-9-25(11-17)16-23-8-6-15(24-16)18(20,21)22/h1-2,4-6,8,26H,3,7,9-12H2
InChIKeyUSPOWERYFKEZGI-UHFFFAOYSA-N
XLogP3.46
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol (CID 56748960) is [3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol is OCC1(Cc2ccccc2F)CCCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of [3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The InChIKey is USPOWERYFKEZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O/c19-14-5-2-1-4-13(14)10-17(12-26)7-3-9-25(11-17)16-23-8-6-15(24-16)18(20,21)22/h1-2,4-6,8,26H,3,7,9-12H2.
What are the key properties of [3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
[3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol has a molecular weight of 369.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 56748960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).