2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol

C15H24F2N4O2 — CID 162799890

IUPAC2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol
SMILESCn1ccnc1CNC1COC(CN2CCC(F)(F)CC2)C1O
InChIInChI=1S/C15H24F2N4O2/c1-20-7-4-18-13(20)8-19-11-10-23-12(14(11)22)9-21-5-2-15(16,17)3-6-21/h4,7,11-12,14,19,22H,2-3,5-6,8-10H2,1H3
InChIKeyJJPURFIDSYWSQH-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.37
Rot. Bonds5

About 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol

2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol (PubChem CID 162799890) has the molecular formula C15H24F2N4O2 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol.

Molecular Properties

Compound Name2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol
PubChem CID162799890
Molecular FormulaC15H24F2N4O2
Molecular Weight330.38 g/mol
Exact Mass330.19
IUPAC Name2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol
SMILESCn1ccnc1CNC1COC(CN2CCC(F)(F)CC2)C1O
InChIInChI=1S/C15H24F2N4O2/c1-20-7-4-18-13(20)8-19-11-10-23-12(14(11)22)9-21-5-2-15(16,17)3-6-21/h4,7,11-12,14,19,22H,2-3,5-6,8-10H2,1H3
InChIKeyJJPURFIDSYWSQH-UHFFFAOYSA-N
XLogP0.37
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol 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-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol?
The IUPAC name of 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol (CID 162799890) is 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol.
What is the SMILES notation for 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol?
The canonical SMILES for 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol is Cn1ccnc1CNC1COC(CN2CCC(F)(F)CC2)C1O.
What is the InChIKey of 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol?
The InChIKey is JJPURFIDSYWSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4O2/c1-20-7-4-18-13(20)8-19-11-10-23-12(14(11)22)9-21-5-2-15(16,17)3-6-21/h4,7,11-12,14,19,22H,2-3,5-6,8-10H2,1H3.
What are the key properties of 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol?
2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol has a molecular weight of 330.38 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methylamino]oxolan-3-ol is sourced from PubChem (CID 162799890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).