1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine

C16H25N5O — CID 70777526

IUPAC1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine
SMILESCc1[nH]cnc1-c1nccn1CCCOC1CCN(C)CC1
InChIInChI=1S/C16H25N5O/c1-13-15(19-12-18-13)16-17-6-10-21(16)7-3-11-22-14-4-8-20(2)9-5-14/h6,10,12,14H,3-5,7-9,11H2,1-2H3,(H,18,19)
InChIKeyHVQHMHGVQWKJSD-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.08
Rot. Bonds6

About 1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine

1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine (PubChem CID 70777526) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine.

Molecular Properties

Compound Name1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine
PubChem CID70777526
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine
SMILESCc1[nH]cnc1-c1nccn1CCCOC1CCN(C)CC1
InChIInChI=1S/C16H25N5O/c1-13-15(19-12-18-13)16-17-6-10-21(16)7-3-11-22-14-4-8-20(2)9-5-14/h6,10,12,14H,3-5,7-9,11H2,1-2H3,(H,18,19)
InChIKeyHVQHMHGVQWKJSD-UHFFFAOYSA-N
XLogP2.08
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine?
The IUPAC name of 1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine (CID 70777526) is 1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine.
What is the SMILES notation for 1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine?
The canonical SMILES for 1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine is Cc1[nH]cnc1-c1nccn1CCCOC1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine?
The InChIKey is HVQHMHGVQWKJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13-15(19-12-18-13)16-17-6-10-21(16)7-3-11-22-14-4-8-20(2)9-5-14/h6,10,12,14H,3-5,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine?
1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine has a molecular weight of 303.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[2-(5-methyl-1H-imidazol-4-yl)imidazol-1-yl]propoxy]piperidine is sourced from PubChem (CID 70777526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).