[1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol

C16H22FN3O — CID 82250935

IUPAC[1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(C3=NCCCN3)cc2F)CC1
InChIInChI=1S/C16H22FN3O/c17-14-10-13(16-18-6-1-7-19-16)2-3-15(14)20-8-4-12(11-21)5-9-20/h2-3,10,12,21H,1,4-9,11H2,(H,18,19)
InChIKeyPPXBLECJIPAUBL-UHFFFAOYSA-N
MW291.37 g/mol
LogP1.77
Rot. Bonds3

About [1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol

[1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol (PubChem CID 82250935) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is [1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol
PubChem CID82250935
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name[1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2ccc(C3=NCCCN3)cc2F)CC1
InChIInChI=1S/C16H22FN3O/c17-14-10-13(16-18-6-1-7-19-16)2-3-15(14)20-8-4-12(11-21)5-9-20/h2-3,10,12,21H,1,4-9,11H2,(H,18,19)
InChIKeyPPXBLECJIPAUBL-UHFFFAOYSA-N
XLogP1.77
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol (CID 82250935) is [1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol is OCC1CCN(c2ccc(C3=NCCCN3)cc2F)CC1.
What is the InChIKey of [1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol?
The InChIKey is PPXBLECJIPAUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c17-14-10-13(16-18-6-1-7-19-16)2-3-15(14)20-8-4-12(11-21)5-9-20/h2-3,10,12,21H,1,4-9,11H2,(H,18,19).
What are the key properties of [1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol?
[1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol has a molecular weight of 291.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 82250935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).