[3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol

C18H22FN3O2 — CID 56754043

IUPAC[3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCOc1cc(N2CCCC(CO)(Cc3ccccc3F)C2)ncn1
InChIInChI=1S/C18H22FN3O2/c1-24-17-9-16(20-13-21-17)22-8-4-7-18(11-22,12-23)10-14-5-2-3-6-15(14)19/h2-3,5-6,9,13,23H,4,7-8,10-12H2,1H3
InChIKeyVTZSARWHAHCURP-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.45
Rot. Bonds5

About [3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol

[3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 56754043) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID56754043
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCOc1cc(N2CCCC(CO)(Cc3ccccc3F)C2)ncn1
InChIInChI=1S/C18H22FN3O2/c1-24-17-9-16(20-13-21-17)22-8-4-7-18(11-22,12-23)10-14-5-2-3-6-15(14)19/h2-3,5-6,9,13,23H,4,7-8,10-12H2,1H3
InChIKeyVTZSARWHAHCURP-UHFFFAOYSA-N
XLogP2.45
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol (CID 56754043) is [3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol is COc1cc(N2CCCC(CO)(Cc3ccccc3F)C2)ncn1.
What is the InChIKey of [3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is VTZSARWHAHCURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-24-17-9-16(20-13-21-17)22-8-4-7-18(11-22,12-23)10-14-5-2-3-6-15(14)19/h2-3,5-6,9,13,23H,4,7-8,10-12H2,1H3.
What are the key properties of [3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol?
[3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 331.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 56754043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).