4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine

C14H21N3 — CID 118297226

IUPAC4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine
SMILESC1=CCCC(C2=CN(C3CCNCC3)CN2)=C1
InChIInChI=1S/C14H21N3/c1-2-4-12(5-3-1)14-10-17(11-16-14)13-6-8-15-9-7-13/h1-2,4,10,13,15-16H,3,5-9,11H2
InChIKeyQYAJSQLZJQLJRW-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.72
Rot. Bonds2

About 4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine

4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine (PubChem CID 118297226) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine.

Molecular Properties

Compound Name4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine
PubChem CID118297226
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine
SMILESC1=CCCC(C2=CN(C3CCNCC3)CN2)=C1
InChIInChI=1S/C14H21N3/c1-2-4-12(5-3-1)14-10-17(11-16-14)13-6-8-15-9-7-13/h1-2,4,10,13,15-16H,3,5-9,11H2
InChIKeyQYAJSQLZJQLJRW-UHFFFAOYSA-N
XLogP1.72
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine?
The IUPAC name of 4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine (CID 118297226) is 4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine.
What is the SMILES notation for 4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine?
The canonical SMILES for 4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine is C1=CCCC(C2=CN(C3CCNCC3)CN2)=C1.
What is the InChIKey of 4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine?
The InChIKey is QYAJSQLZJQLJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-4-12(5-3-1)14-10-17(11-16-14)13-6-8-15-9-7-13/h1-2,4,10,13,15-16H,3,5-9,11H2.
What are the key properties of 4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine?
4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine has a molecular weight of 231.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexa-1,3-dien-1-yl-1,2-dihydroimidazol-3-yl)piperidine is sourced from PubChem (CID 118297226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).