1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine

C12H22N4 — CID 114706919

IUPAC1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1C1CCN(C)C(C)C1
InChIInChI=1S/C12H22N4/c1-9-6-11(4-5-15(9)3)16-8-14-7-12(16)10(2)13/h7-11H,4-6,13H2,1-3H3
InChIKeyKMFFNFUGLNCLPF-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.56
Rot. Bonds2

About 1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine

1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine (PubChem CID 114706919) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine
PubChem CID114706919
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1C1CCN(C)C(C)C1
InChIInChI=1S/C12H22N4/c1-9-6-11(4-5-15(9)3)16-8-14-7-12(16)10(2)13/h7-11H,4-6,13H2,1-3H3
InChIKeyKMFFNFUGLNCLPF-UHFFFAOYSA-N
XLogP1.56
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine (CID 114706919) is 1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine is CC(N)c1cncn1C1CCN(C)C(C)C1.
What is the InChIKey of 1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine?
The InChIKey is KMFFNFUGLNCLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-6-11(4-5-15(9)3)16-8-14-7-12(16)10(2)13/h7-11H,4-6,13H2,1-3H3.
What are the key properties of 1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine?
1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114706919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).