1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine

C15H23N3 — CID 11223503

IUPAC1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine
SMILESC(=C1CCN(C2CCCCC2)CC1)c1cnc[nH]1
InChIInChI=1S/C15H23N3/c1-2-4-15(5-3-1)18-8-6-13(7-9-18)10-14-11-16-12-17-14/h10-12,15H,1-9H2,(H,16,17)
InChIKeyVVAQWSHIJLXLCO-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.22
Rot. Bonds2

About 1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine

1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine (PubChem CID 11223503) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine
PubChem CID11223503
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine
SMILESC(=C1CCN(C2CCCCC2)CC1)c1cnc[nH]1
InChIInChI=1S/C15H23N3/c1-2-4-15(5-3-1)18-8-6-13(7-9-18)10-14-11-16-12-17-14/h10-12,15H,1-9H2,(H,16,17)
InChIKeyVVAQWSHIJLXLCO-UHFFFAOYSA-N
XLogP3.22
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
The IUPAC name of 1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine (CID 11223503) is 1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine.
What is the SMILES notation for 1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
The canonical SMILES for 1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine is C(=C1CCN(C2CCCCC2)CC1)c1cnc[nH]1.
What is the InChIKey of 1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
The InChIKey is VVAQWSHIJLXLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-4-15(5-3-1)18-8-6-13(7-9-18)10-14-11-16-12-17-14/h10-12,15H,1-9H2,(H,16,17).
What are the key properties of 1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine has a molecular weight of 245.37 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(1H-imidazol-5-ylmethylidene)piperidine is sourced from PubChem (CID 11223503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).