[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine

C13H22F2N4 — CID 103353045

IUPAC[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2nccn2C(F)F)C(CN)C1
InChIInChI=1S/C13H22F2N4/c1-2-10-3-5-18(11(7-10)8-16)9-12-17-4-6-19(12)13(14)15/h4,6,10-11,13H,2-3,5,7-9,16H2,1H3
InChIKeyDWOUGIKRGHYZMT-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.23
Rot. Bonds5

About [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine

[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103353045) has the molecular formula C13H22F2N4 and a molecular weight of 272.34 g/mol. Its IUPAC name is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine
PubChem CID103353045
Molecular FormulaC13H22F2N4
Molecular Weight272.34 g/mol
Exact Mass272.18
IUPAC Name[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2nccn2C(F)F)C(CN)C1
InChIInChI=1S/C13H22F2N4/c1-2-10-3-5-18(11(7-10)8-16)9-12-17-4-6-19(12)13(14)15/h4,6,10-11,13H,2-3,5,7-9,16H2,1H3
InChIKeyDWOUGIKRGHYZMT-UHFFFAOYSA-N
XLogP2.23
TPSA47.08 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 ≤ 52.23
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]methyl]-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine (CID 103353045) is [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(Cc2nccn2C(F)F)C(CN)C1.
What is the InChIKey of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is DWOUGIKRGHYZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N4/c1-2-10-3-5-18(11(7-10)8-16)9-12-17-4-6-19(12)13(14)15/h4,6,10-11,13H,2-3,5,7-9,16H2,1H3.
What are the key properties of [1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine?
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 272.34 g/mol, XLogP of 2.23, 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]methyl]-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103353045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).