3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine

C15H20ClN5O — CID 163354526

IUPAC3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESCn1cnnc1CN1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C15H20ClN5O/c1-20-11-18-19-14(20)9-21-7-3-4-12(8-21)10-22-15-13(16)5-2-6-17-15/h2,5-6,11-12H,3-4,7-10H2,1H3
InChIKeyJGDLJULBNXYKOT-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.15
Rot. Bonds5

About 3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine

3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine (PubChem CID 163354526) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
PubChem CID163354526
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESCn1cnnc1CN1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C15H20ClN5O/c1-20-11-18-19-14(20)9-21-7-3-4-12(8-21)10-22-15-13(16)5-2-6-17-15/h2,5-6,11-12H,3-4,7-10H2,1H3
InChIKeyJGDLJULBNXYKOT-UHFFFAOYSA-N
XLogP2.15
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine (CID 163354526) is 3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine is Cn1cnnc1CN1CCCC(COc2ncccc2Cl)C1.
What is the InChIKey of 3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine?
The InChIKey is JGDLJULBNXYKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-20-11-18-19-14(20)9-21-7-3-4-12(8-21)10-22-15-13(16)5-2-6-17-15/h2,5-6,11-12H,3-4,7-10H2,1H3.
What are the key properties of 3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine?
3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine has a molecular weight of 321.81 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 163354526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).