2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol

C15H22FN3O — CID 58128560

IUPAC2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
SMILESCc1nc(N2CCC(C3CC3CCO)CC2)ncc1F
InChIInChI=1S/C15H22FN3O/c1-10-14(16)9-17-15(18-10)19-5-2-11(3-6-19)13-8-12(13)4-7-20/h9,11-13,20H,2-8H2,1H3
InChIKeyVPXIIJZNAWDQNQ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.16
Rot. Bonds4

About 2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol

2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol (PubChem CID 58128560) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
PubChem CID58128560
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
SMILESCc1nc(N2CCC(C3CC3CCO)CC2)ncc1F
InChIInChI=1S/C15H22FN3O/c1-10-14(16)9-17-15(18-10)19-5-2-11(3-6-19)13-8-12(13)4-7-20/h9,11-13,20H,2-8H2,1H3
InChIKeyVPXIIJZNAWDQNQ-UHFFFAOYSA-N
XLogP2.16
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol 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 2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The IUPAC name of 2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol (CID 58128560) is 2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The canonical SMILES for 2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol is Cc1nc(N2CCC(C3CC3CCO)CC2)ncc1F.
What is the InChIKey of 2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
The InChIKey is VPXIIJZNAWDQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-14(16)9-17-15(18-10)19-5-2-11(3-6-19)13-8-12(13)4-7-20/h9,11-13,20H,2-8H2,1H3.
What are the key properties of 2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol?
2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol has a molecular weight of 279.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(5-fluoro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol is sourced from PubChem (CID 58128560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).