1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine

C13H22F2N4 — CID 103992012

IUPAC1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
SMILESCN1CCC(C)(CNCc2nccn2C(F)F)CC1
InChIInChI=1S/C13H22F2N4/c1-13(3-6-18(2)7-4-13)10-16-9-11-17-5-8-19(11)12(14)15/h5,8,12,16H,3-4,6-7,9-10H2,1-2H3
InChIKeyXLTAVEWUXCXJSP-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.10
Rot. Bonds5

About 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine

1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine (PubChem CID 103992012) has the molecular formula C13H22F2N4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
PubChem CID103992012
Molecular FormulaC13H22F2N4
Molecular Weight272.34 g/mol
Exact Mass272.18
IUPAC Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
SMILESCN1CCC(C)(CNCc2nccn2C(F)F)CC1
InChIInChI=1S/C13H22F2N4/c1-13(3-6-18(2)7-4-13)10-16-9-11-17-5-8-19(11)12(14)15/h5,8,12,16H,3-4,6-7,9-10H2,1-2H3
InChIKeyXLTAVEWUXCXJSP-UHFFFAOYSA-N
XLogP2.10
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine (CID 103992012) is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine is CN1CCC(C)(CNCc2nccn2C(F)F)CC1.
What is the InChIKey of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The InChIKey is XLTAVEWUXCXJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4/c1-13(3-6-18(2)7-4-13)10-16-9-11-17-5-8-19(11)12(14)15/h5,8,12,16H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine has a molecular weight of 272.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine is sourced from PubChem (CID 103992012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).