4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine

C13H19N3 — CID 107490004

IUPAC4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
SMILESC1=C(CCn2cncc2C2CC2)CCNC1
InChIInChI=1S/C13H19N3/c1-2-12(1)13-9-15-10-16(13)8-5-11-3-6-14-7-4-11/h3,9-10,12,14H,1-2,4-8H2
InChIKeyHMINJUMGAKDITJ-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.07
Rot. Bonds4

About 4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine

4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 107490004) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
PubChem CID107490004
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
SMILESC1=C(CCn2cncc2C2CC2)CCNC1
InChIInChI=1S/C13H19N3/c1-2-12(1)13-9-15-10-16(13)8-5-11-3-6-14-7-4-11/h3,9-10,12,14H,1-2,4-8H2
InChIKeyHMINJUMGAKDITJ-UHFFFAOYSA-N
XLogP2.07
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.07
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-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine
CID 114694815
4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine
CID 107489986
4-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114704864
4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
CID 106106979
4-[3-(2-ethylsulfonylethyl)imidazol-4-yl]piperidine
CID 114112555
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
2-chloro-5-[2-(5-cyclopropylimidazol-1-yl)ethyl]pyridine
CID 116811691
N-ethyl-N-methyl-2-(5-piperidin-4-ylimidazol-1-yl)ethanamine
CID 114705667
1-piperidin-1-yl-3-(5-piperidin-4-ylimidazol-1-yl)propan-1-one
CID 114707224
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine (CID 107490004) is 4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine is C1=C(CCn2cncc2C2CC2)CCNC1.
What is the InChIKey of 4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is HMINJUMGAKDITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-12(1)13-9-15-10-16(13)8-5-11-3-6-14-7-4-11/h3,9-10,12,14H,1-2,4-8H2.
What are the key properties of 4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine?
4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 217.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 107490004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).