4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine

C19H24N6O — CID 70777417

IUPAC4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine
SMILESc1ccc(OCCCn2ccnc2-c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C19H24N6O/c1-2-5-17(6-3-1)26-14-4-12-24-13-11-21-19(24)18-15-25(23-22-18)16-7-9-20-10-8-16/h1-3,5-6,11,13,15-16,20H,4,7-10,12,14H2
InChIKeyKHKUESFRXGJMLE-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.54
Rot. Bonds7

About 4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine

4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine (PubChem CID 70777417) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine
PubChem CID70777417
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine
SMILESc1ccc(OCCCn2ccnc2-c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C19H24N6O/c1-2-5-17(6-3-1)26-14-4-12-24-13-11-21-19(24)18-15-25(23-22-18)16-7-9-20-10-8-16/h1-3,5-6,11,13,15-16,20H,4,7-10,12,14H2
InChIKeyKHKUESFRXGJMLE-UHFFFAOYSA-N
XLogP2.54
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 44578538
2-[1-[[2-(2-methylpropoxy)phenyl]methyl]imidazol-4-yl]-4-(2H-tetrazol-5-yl)pyridine
CID 90407203
2-[1-[2-(2-ethoxyphenyl)ethyl]imidazol-4-yl]-4-(2H-triazol-4-yl)pyridine
CID 118956669
6-(1-Ethylpyrazol-3-YL)-2-methyl-N-[3-(2-methylphenoxy)propyl]pyrimidin-4-amine
CID 46958561
N-(4-methoxyphenyl)-6-(1-methyl-1H-pyrazol-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 52945317
5-[[4-[(4-Methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
CID 57400271
2-Methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine
CID 57401134
5-[[5-Iodo-4-(phenoxymethyl)triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
CID 57401433
5-[[4-[(4-Fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
CID 90276731
US10071984, Example 9
CID 136214392
6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine
CID 46958539
2-ethoxy-5-(4-phenyl-1-pyrrolidin-3-yl-1H-imidazol-5-yl)pyridine
CID 50962901

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine?
The IUPAC name of 4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine (CID 70777417) is 4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine?
The canonical SMILES for 4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine is c1ccc(OCCCn2ccnc2-c2cn(C3CCNCC3)nn2)cc1.
What is the InChIKey of 4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine?
The InChIKey is KHKUESFRXGJMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-2-5-17(6-3-1)26-14-4-12-24-13-11-21-19(24)18-15-25(23-22-18)16-7-9-20-10-8-16/h1-3,5-6,11,13,15-16,20H,4,7-10,12,14H2.
What are the key properties of 4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine?
4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine has a molecular weight of 352.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(3-phenoxypropyl)imidazol-2-yl]triazol-1-yl]piperidine is sourced from PubChem (CID 70777417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).