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

C16H19N3 — CID 11189201

IUPAC1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine
SMILESC(=C1CCN(Cc2ccccc2)CC1)c1cnc[nH]1
InChIInChI=1S/C16H19N3/c1-2-4-15(5-3-1)12-19-8-6-14(7-9-19)10-16-11-17-13-18-16/h1-5,10-11,13H,6-9,12H2,(H,17,18)
InChIKeyBNZRFOUVNDGUKH-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.09
Rot. Bonds3

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

1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine (PubChem CID 11189201) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine.

Molecular Properties

Compound Name1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine
PubChem CID11189201
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine
SMILESC(=C1CCN(Cc2ccccc2)CC1)c1cnc[nH]1
InChIInChI=1S/C16H19N3/c1-2-4-15(5-3-1)12-19-8-6-14(7-9-19)10-16-11-17-13-18-16/h1-5,10-11,13H,6-9,12H2,(H,17,18)
InChIKeyBNZRFOUVNDGUKH-UHFFFAOYSA-N
XLogP3.09
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
The IUPAC name of 1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine (CID 11189201) is 1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine.
What is the SMILES notation for 1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
The canonical SMILES for 1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine is C(=C1CCN(Cc2ccccc2)CC1)c1cnc[nH]1.
What is the InChIKey of 1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
The InChIKey is BNZRFOUVNDGUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-4-15(5-3-1)12-19-8-6-14(7-9-19)10-16-11-17-13-18-16/h1-5,10-11,13H,6-9,12H2,(H,17,18).
What are the key properties of 1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine?
1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine has a molecular weight of 253.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(1H-imidazol-5-ylmethylidene)piperidine is sourced from PubChem (CID 11189201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).