2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine

C11H18F2N4 — CID 58228088

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1C(CN)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N4/c1-16-7-4-15-10(16)9(8-14)17-5-2-11(12,13)3-6-17/h4,7,9H,2-3,5-6,8,14H2,1H3
InChIKeyIBDUVOZIYNERSN-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.15
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine

2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 58228088) has the molecular formula C11H18F2N4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID58228088
Molecular FormulaC11H18F2N4
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1C(CN)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N4/c1-16-7-4-15-10(16)9(8-14)17-5-2-11(12,13)3-6-17/h4,7,9H,2-3,5-6,8,14H2,1H3
InChIKeyIBDUVOZIYNERSN-UHFFFAOYSA-N
XLogP1.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine (CID 58228088) is 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1C(CN)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is IBDUVOZIYNERSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4/c1-16-7-4-15-10(16)9(8-14)17-5-2-11(12,13)3-6-17/h4,7,9H,2-3,5-6,8,14H2,1H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 244.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 58228088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).