1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol

C16H19FN4O — CID 16674053

IUPAC1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESNc1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1
InChIInChI=1S/C16H19FN4O/c17-14-4-2-1-3-13(14)16(22)5-7-21(8-6-16)11-12-9-19-15(18)20-10-12/h1-4,9-10,22H,5-8,11H2,(H2,18,19,20)
InChIKeyHWNMOCODEMMYLE-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.68
Rot. Bonds3

About 1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol

1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol (PubChem CID 16674053) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol
PubChem CID16674053
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol
SMILESNc1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1
InChIInChI=1S/C16H19FN4O/c17-14-4-2-1-3-13(14)16(22)5-7-21(8-6-16)11-12-9-19-15(18)20-10-12/h1-4,9-10,22H,5-8,11H2,(H2,18,19,20)
InChIKeyHWNMOCODEMMYLE-UHFFFAOYSA-N
XLogP1.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol (CID 16674053) is 1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol is Nc1ncc(CN2CCC(O)(c3ccccc3F)CC2)cn1.
What is the InChIKey of 1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol?
The InChIKey is HWNMOCODEMMYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-14-4-2-1-3-13(14)16(22)5-7-21(8-6-16)11-12-9-19-15(18)20-10-12/h1-4,9-10,22H,5-8,11H2,(H2,18,19,20).
What are the key properties of 1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol?
1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol has a molecular weight of 302.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminopyrimidin-5-yl)methyl]-4-(2-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 16674053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).