4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol

C20H26FN3O — CID 126463375

IUPAC4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol
SMILESCc1ncc(-c2ccc(F)cc2)c(C2CCCN(CCC(C)O)C2)n1
InChIInChI=1S/C20H26FN3O/c1-14(25)9-11-24-10-3-4-17(13-24)20-19(12-22-15(2)23-20)16-5-7-18(21)8-6-16/h5-8,12,14,17,25H,3-4,9-11,13H2,1-2H3
InChIKeyJMWBBGQTTDPBJV-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.54
Rot. Bonds5

About 4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol

4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol (PubChem CID 126463375) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol
PubChem CID126463375
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol
SMILESCc1ncc(-c2ccc(F)cc2)c(C2CCCN(CCC(C)O)C2)n1
InChIInChI=1S/C20H26FN3O/c1-14(25)9-11-24-10-3-4-17(13-24)20-19(12-22-15(2)23-20)16-5-7-18(21)8-6-16/h5-8,12,14,17,25H,3-4,9-11,13H2,1-2H3
InChIKeyJMWBBGQTTDPBJV-UHFFFAOYSA-N
XLogP3.54
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol?
The IUPAC name of 4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol (CID 126463375) is 4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol?
The canonical SMILES for 4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol is Cc1ncc(-c2ccc(F)cc2)c(C2CCCN(CCC(C)O)C2)n1.
What is the InChIKey of 4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol?
The InChIKey is JMWBBGQTTDPBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-14(25)9-11-24-10-3-4-17(13-24)20-19(12-22-15(2)23-20)16-5-7-18(21)8-6-16/h5-8,12,14,17,25H,3-4,9-11,13H2,1-2H3.
What are the key properties of 4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol?
4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol has a molecular weight of 343.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 126463375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).