1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine

C16H23N5 — CID 119036262

IUPAC1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine
SMILESCC(NCc1ccnc(N2CCCCC2)c1)c1ncc[nH]1
InChIInChI=1S/C16H23N5/c1-13(16-18-7-8-19-16)20-12-14-5-6-17-15(11-14)21-9-3-2-4-10-21/h5-8,11,13,20H,2-4,9-10,12H2,1H3,(H,18,19)
InChIKeyWGXKJOJWSDGHOM-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.65
Rot. Bonds5

About 1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine

1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine (PubChem CID 119036262) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine
PubChem CID119036262
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine
SMILESCC(NCc1ccnc(N2CCCCC2)c1)c1ncc[nH]1
InChIInChI=1S/C16H23N5/c1-13(16-18-7-8-19-16)20-12-14-5-6-17-15(11-14)21-9-3-2-4-10-21/h5-8,11,13,20H,2-4,9-10,12H2,1H3,(H,18,19)
InChIKeyWGXKJOJWSDGHOM-UHFFFAOYSA-N
XLogP2.65
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 119040414
(1S)-1-(4,5-dimethylfuran-2-yl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]ethanamine
CID 100737963
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
N-benzyl-1-(1H-imidazol-2-yl)ethanamine
CID 22398694
N-[[2-(1,4-thiazepan-4-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55059045
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111760424
N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide
CID 131963182
2-methyl-3-(methylamino)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]propanamide;dihydrochloride
CID 119841377
N-[[2-(4-ethylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62288369
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propan-1-amine
CID 62285745
1-(1H-imidazol-2-yl)-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038994
N-[[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 55055040

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine (CID 119036262) is 1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine is CC(NCc1ccnc(N2CCCCC2)c1)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine?
The InChIKey is WGXKJOJWSDGHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(16-18-7-8-19-16)20-12-14-5-6-17-15(11-14)21-9-3-2-4-10-21/h5-8,11,13,20H,2-4,9-10,12H2,1H3,(H,18,19).
What are the key properties of 1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine?
1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 119036262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).