[1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine

C11H20N4 — CID 106718060

IUPAC[1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine
SMILESNCc1cn(CCN2CCCCC2)cn1
InChIInChI=1S/C11H20N4/c12-8-11-9-15(10-13-11)7-6-14-4-2-1-3-5-14/h9-10H,1-8,12H2
InChIKeyTWKCLSDMNXITAT-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.83
Rot. Bonds4

About [1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine

[1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine (PubChem CID 106718060) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is [1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine
PubChem CID106718060
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name[1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine
SMILESNCc1cn(CCN2CCCCC2)cn1
InChIInChI=1S/C11H20N4/c12-8-11-9-15(10-13-11)7-6-14-4-2-1-3-5-14/h9-10H,1-8,12H2
InChIKeyTWKCLSDMNXITAT-UHFFFAOYSA-N
XLogP0.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine (CID 106718060) is [1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine is NCc1cn(CCN2CCCCC2)cn1.
What is the InChIKey of [1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine?
The InChIKey is TWKCLSDMNXITAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-8-11-9-15(10-13-11)7-6-14-4-2-1-3-5-14/h9-10H,1-8,12H2.
What are the key properties of [1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine?
[1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine has a molecular weight of 208.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-piperidin-1-ylethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 106718060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).