N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine

C17H24N4 — CID 106551788

IUPACN-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine
SMILESCCN(c1nc(C)cn1-c1ccccc1)C1CCCNC1
InChIInChI=1S/C17H24N4/c1-3-20(16-10-7-11-18-12-16)17-19-14(2)13-21(17)15-8-5-4-6-9-15/h4-6,8-9,13,16,18H,3,7,10-12H2,1-2H3
InChIKeyVAZWYIBSTHRINQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.76
Rot. Bonds4

About N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine

N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine (PubChem CID 106551788) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine
PubChem CID106551788
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine
SMILESCCN(c1nc(C)cn1-c1ccccc1)C1CCCNC1
InChIInChI=1S/C17H24N4/c1-3-20(16-10-7-11-18-12-16)17-19-14(2)13-21(17)15-8-5-4-6-9-15/h4-6,8-9,13,16,18H,3,7,10-12H2,1-2H3
InChIKeyVAZWYIBSTHRINQ-UHFFFAOYSA-N
XLogP2.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine?
The IUPAC name of N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine (CID 106551788) is N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine.
What is the SMILES notation for N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine?
The canonical SMILES for N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine is CCN(c1nc(C)cn1-c1ccccc1)C1CCCNC1.
What is the InChIKey of N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine?
The InChIKey is VAZWYIBSTHRINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-20(16-10-7-11-18-12-16)17-19-14(2)13-21(17)15-8-5-4-6-9-15/h4-6,8-9,13,16,18H,3,7,10-12H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine?
N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine has a molecular weight of 284.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methyl-1-phenylimidazol-2-yl)piperidin-3-amine is sourced from PubChem (CID 106551788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).