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

C12H22N4 — CID 114722738

IUPAC2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine
SMILESCC1CN(C)CCC1n1cncc1CCN
InChIInChI=1S/C12H22N4/c1-10-8-15(2)6-4-12(10)16-9-14-7-11(16)3-5-13/h7,9-10,12H,3-6,8,13H2,1-2H3
InChIKeyNGOIKIGSZOMINJ-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.90
Rot. Bonds3

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

2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine (PubChem CID 114722738) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine
PubChem CID114722738
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine
SMILESCC1CN(C)CCC1n1cncc1CCN
InChIInChI=1S/C12H22N4/c1-10-8-15(2)6-4-12(10)16-9-14-7-11(16)3-5-13/h7,9-10,12H,3-6,8,13H2,1-2H3
InChIKeyNGOIKIGSZOMINJ-UHFFFAOYSA-N
XLogP0.90
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine (CID 114722738) is 2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine is CC1CN(C)CCC1n1cncc1CCN.
What is the InChIKey of 2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine?
The InChIKey is NGOIKIGSZOMINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-8-15(2)6-4-12(10)16-9-14-7-11(16)3-5-13/h7,9-10,12H,3-6,8,13H2,1-2H3.
What are the key properties of 2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine?
2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-dimethylpiperidin-4-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114722738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).