2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine

C17H24N4O — CID 91838335

IUPAC2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESCOCCn1cncc1CN1CCCCC1c1ccccn1
InChIInChI=1S/C17H24N4O/c1-22-11-10-21-14-18-12-15(21)13-20-9-5-3-7-17(20)16-6-2-4-8-19-16/h2,4,6,8,12,14,17H,3,5,7,9-11,13H2,1H3
InChIKeyQYBKMRPDKVHRJK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.65
Rot. Bonds6

About 2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine

2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine (PubChem CID 91838335) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
PubChem CID91838335
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
SMILESCOCCn1cncc1CN1CCCCC1c1ccccn1
InChIInChI=1S/C17H24N4O/c1-22-11-10-21-14-18-12-15(21)13-20-9-5-3-7-17(20)16-6-2-4-8-19-16/h2,4,6,8,12,14,17H,3,5,7,9-11,13H2,1H3
InChIKeyQYBKMRPDKVHRJK-UHFFFAOYSA-N
XLogP2.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
The IUPAC name of 2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine (CID 91838335) is 2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine is COCCn1cncc1CN1CCCCC1c1ccccn1.
What is the InChIKey of 2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
The InChIKey is QYBKMRPDKVHRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-22-11-10-21-14-18-12-15(21)13-20-9-5-3-7-17(20)16-6-2-4-8-19-16/h2,4,6,8,12,14,17H,3,5,7,9-11,13H2,1H3.
What are the key properties of 2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine?
2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine has a molecular weight of 300.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 91838335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).