2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine

C21H24N4O — CID 95839123

IUPAC2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine
SMILESc1ccc(OCCN2CCC(c3cccc(-n4ccnc4)n3)CC2)cc1
InChIInChI=1S/C21H24N4O/c1-2-5-19(6-3-1)26-16-15-24-12-9-18(10-13-24)20-7-4-8-21(23-20)25-14-11-22-17-25/h1-8,11,14,17-18H,9-10,12-13,15-16H2
InChIKeyJBEGEAZQCQVXKQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.53
Rot. Bonds6

About 2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine

2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine (PubChem CID 95839123) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine.

Molecular Properties

Compound Name2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine
PubChem CID95839123
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine
SMILESc1ccc(OCCN2CCC(c3cccc(-n4ccnc4)n3)CC2)cc1
InChIInChI=1S/C21H24N4O/c1-2-5-19(6-3-1)26-16-15-24-12-9-18(10-13-24)20-7-4-8-21(23-20)25-14-11-22-17-25/h1-8,11,14,17-18H,9-10,12-13,15-16H2
InChIKeyJBEGEAZQCQVXKQ-UHFFFAOYSA-N
XLogP3.53
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-benzylpyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815726
1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone
CID 110267731
2-[2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 110267895
2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838629
[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 124984370
4-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]pyridine
CID 50950194
2-imidazol-1-yl-6-[(2S)-pyrrolidin-2-yl]pyridine
CID 95816194
cyclopentyl-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 95838424
2-[(2R)-2-(6-imidazol-1-yl-2-pyridinyl)pyrrolidin-1-yl]-4,6-dimethylpyrimidine
CID 124998210
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
2-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829311
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine?
The IUPAC name of 2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine (CID 95839123) is 2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine.
What is the SMILES notation for 2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine?
The canonical SMILES for 2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine is c1ccc(OCCN2CCC(c3cccc(-n4ccnc4)n3)CC2)cc1.
What is the InChIKey of 2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine?
The InChIKey is JBEGEAZQCQVXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-5-19(6-3-1)26-16-15-24-12-9-18(10-13-24)20-7-4-8-21(23-20)25-14-11-22-17-25/h1-8,11,14,17-18H,9-10,12-13,15-16H2.
What are the key properties of 2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine?
2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine has a molecular weight of 348.45 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine is sourced from PubChem (CID 95839123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).