[4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol

C16H26FN3O — CID 165090250

IUPAC[4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCCCCC1(CO)CCN(c2ncnc(CC)c2F)CC1
InChIInChI=1S/C16H26FN3O/c1-3-5-6-16(11-21)7-9-20(10-8-16)15-14(17)13(4-2)18-12-19-15/h12,21H,3-11H2,1-2H3
InChIKeyWJZJFUJLHUAFBN-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.95
Rot. Bonds6

About [4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol

[4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol (PubChem CID 165090250) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is [4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
PubChem CID165090250
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name[4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol
SMILESCCCCC1(CO)CCN(c2ncnc(CC)c2F)CC1
InChIInChI=1S/C16H26FN3O/c1-3-5-6-16(11-21)7-9-20(10-8-16)15-14(17)13(4-2)18-12-19-15/h12,21H,3-11H2,1-2H3
InChIKeyWJZJFUJLHUAFBN-UHFFFAOYSA-N
XLogP2.95
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol (CID 165090250) is [4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol is CCCCC1(CO)CCN(c2ncnc(CC)c2F)CC1.
What is the InChIKey of [4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol?
The InChIKey is WJZJFUJLHUAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-3-5-6-16(11-21)7-9-20(10-8-16)15-14(17)13(4-2)18-12-19-15/h12,21H,3-11H2,1-2H3.
What are the key properties of [4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol?
[4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol has a molecular weight of 295.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butyl-1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 165090250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).