1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine

C16H28N4 — CID 106551938

IUPAC1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2nccn2C2CCCCC2)CC1
InChIInChI=1S/C16H28N4/c1-13(17)14-7-10-19(11-8-14)16-18-9-12-20(16)15-5-3-2-4-6-15/h9,12-15H,2-8,10-11,17H2,1H3
InChIKeyINPALQFHMSNMPD-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.95
Rot. Bonds3

About 1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine

1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine (PubChem CID 106551938) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine
PubChem CID106551938
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2nccn2C2CCCCC2)CC1
InChIInChI=1S/C16H28N4/c1-13(17)14-7-10-19(11-8-14)16-18-9-12-20(16)15-5-3-2-4-6-15/h9,12-15H,2-8,10-11,17H2,1H3
InChIKeyINPALQFHMSNMPD-UHFFFAOYSA-N
XLogP2.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine (CID 106551938) is 1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine is CC(N)C1CCN(c2nccn2C2CCCCC2)CC1.
What is the InChIKey of 1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is INPALQFHMSNMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(17)14-7-10-19(11-8-14)16-18-9-12-20(16)15-5-3-2-4-6-15/h9,12-15H,2-8,10-11,17H2,1H3.
What are the key properties of 1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine?
1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 276.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclohexylimidazol-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 106551938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).