4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine

C15H23N3 — CID 114694815

IUPAC4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine
SMILESC1=C(Cn2cncc2C2CCCCC2)CCNC1
InChIInChI=1S/C15H23N3/c1-2-4-14(5-3-1)15-10-17-12-18(15)11-13-6-8-16-9-7-13/h6,10,12,14,16H,1-5,7-9,11H2
InChIKeyCTPUJGBYAOUWSR-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.85
Rot. Bonds3

About 4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine

4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine (PubChem CID 114694815) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine
PubChem CID114694815
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine
SMILESC1=C(Cn2cncc2C2CCCCC2)CCNC1
InChIInChI=1S/C15H23N3/c1-2-4-14(5-3-1)15-10-17-12-18(15)11-13-6-8-16-9-7-13/h6,10,12,14,16H,1-5,7-9,11H2
InChIKeyCTPUJGBYAOUWSR-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
CID 107490004
4-[(5-piperidin-4-ylimidazol-1-yl)methyl]pyridine
CID 114703940
5-cyclopropyl-1-[(4-fluorophenyl)methyl]imidazole
CID 116811649
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
3-[3-[(2-bromophenyl)methyl]imidazol-4-yl]piperidine
CID 114704979
1-(1,2,3,6-tetrahydropyridin-4-ylmethyl)azepane
CID 114694805
4-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]piperidine
CID 114706757
4-[3-(2,2,3-trimethylbutyl)imidazol-4-yl]piperidine
CID 114102709
3-methyl-5-[(5-piperidin-3-ylimidazol-1-yl)methyl]-1,2-oxazole
CID 114705195
3-[3-[(3,4-difluorophenyl)methyl]imidazol-4-yl]piperidine
CID 114704736
3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114706130

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine (CID 114694815) is 4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine is C1=C(Cn2cncc2C2CCCCC2)CCNC1.
What is the InChIKey of 4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is CTPUJGBYAOUWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-4-14(5-3-1)15-10-17-12-18(15)11-13-6-8-16-9-7-13/h6,10,12,14,16H,1-5,7-9,11H2.
What are the key properties of 4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine?
4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 245.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114694815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).