4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine

C12H19N3 — CID 11291550

IUPAC4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(=Cc2cnc[nH]2)CC1
InChIInChI=1S/C12H19N3/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyXKODEEQXNYDOBE-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.30
Rot. Bonds2

About 4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine

4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine (PubChem CID 11291550) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine
PubChem CID11291550
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(=Cc2cnc[nH]2)CC1
InChIInChI=1S/C12H19N3/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12/h7-10H,3-6H2,1-2H3,(H,13,14)
InChIKeyXKODEEQXNYDOBE-UHFFFAOYSA-N
XLogP2.30
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine (CID 11291550) is 4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine is CC(C)N1CCC(=Cc2cnc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine?
The InChIKey is XKODEEQXNYDOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12/h7-10H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine?
4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine has a molecular weight of 205.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethylidene)-1-propan-2-ylpiperidine is sourced from PubChem (CID 11291550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).