1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol

C16H19FN4O — CID 56796904

IUPAC1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(CNc3ncccn3)cc2F)CC1
InChIInChI=1S/C16H19FN4O/c17-14-10-12(11-20-16-18-6-1-7-19-16)2-3-15(14)21-8-4-13(22)5-9-21/h1-3,6-7,10,13,22H,4-5,8-9,11H2,(H,18,19,20)
InChIKeyZPLFQHZNXLTOJX-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.19
Rot. Bonds4

About 1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol

1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol (PubChem CID 56796904) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol
PubChem CID56796904
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(CNc3ncccn3)cc2F)CC1
InChIInChI=1S/C16H19FN4O/c17-14-10-12(11-20-16-18-6-1-7-19-16)2-3-15(14)21-8-4-13(22)5-9-21/h1-3,6-7,10,13,22H,4-5,8-9,11H2,(H,18,19,20)
InChIKeyZPLFQHZNXLTOJX-UHFFFAOYSA-N
XLogP2.19
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol (CID 56796904) is 1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol is OC1CCN(c2ccc(CNc3ncccn3)cc2F)CC1.
What is the InChIKey of 1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol?
The InChIKey is ZPLFQHZNXLTOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-14-10-12(11-20-16-18-6-1-7-19-16)2-3-15(14)21-8-4-13(22)5-9-21/h1-3,6-7,10,13,22H,4-5,8-9,11H2,(H,18,19,20).
What are the key properties of 1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol?
1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol has a molecular weight of 302.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 56796904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).