4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine

C13H19N3O — CID 91513500

IUPAC4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=C(OC2CCCC2)C(n2ccnc2)CNC1
InChIInChI=1S/C13H19N3O/c1-2-4-11(3-1)17-13-5-6-14-9-12(13)16-8-7-15-10-16/h5,7-8,10-12,14H,1-4,6,9H2
InChIKeyICSODYBSLTZCTJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds3

About 4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine

4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine (PubChem CID 91513500) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine
PubChem CID91513500
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine
SMILESC1=C(OC2CCCC2)C(n2ccnc2)CNC1
InChIInChI=1S/C13H19N3O/c1-2-4-11(3-1)17-13-5-6-14-9-12(13)16-8-7-15-10-16/h5,7-8,10-12,14H,1-4,6,9H2
InChIKeyICSODYBSLTZCTJ-UHFFFAOYSA-N
XLogP1.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(Z)-aminodiazenyl]-2-N-cyclopentyl-1-[(2S)-3,4-dihydro-2H-pyran-2-yl]-1-N-(3-imidazol-1-ylpropyl)prop-2-ene-1,2-diamine
CID 89270637
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 62064407
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-imidazol-1-ylpropan-2-amine
CID 62064408
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 62064549
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylcyclopentan-1-amine
CID 62065086
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 62065112
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-imidazol-1-ylethanamine
CID 62065995
1-(3,4-dihydro-2H-pyran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63292080
N-(2-cyclopentyloxyethyl)-3-imidazol-1-ylpropan-1-amine
CID 63827661
N-(2-cyclopentyloxyethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 64179573
N-[3-(1H-Imidazol-1-yl)propyl]-2-methyloxolan-3-amine
CID 75525164
N-[(1-ethylimidazol-2-yl)methyl]-2-methyloxolan-3-amine
CID 82725040

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine (CID 91513500) is 4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine is C1=C(OC2CCCC2)C(n2ccnc2)CNC1.
What is the InChIKey of 4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is ICSODYBSLTZCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-4-11(3-1)17-13-5-6-14-9-12(13)16-8-7-15-10-16/h5,7-8,10-12,14H,1-4,6,9H2.
What are the key properties of 4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine?
4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 233.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-imidazol-1-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 91513500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).