2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C22H27N5O — CID 22017591

IUPAC2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCCOCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1
InChIInChI=1S/C22H27N5O/c1-2-28-17-21-24-25-22(27(21)16-18-8-4-3-5-9-18)19-11-14-26(15-12-19)20-10-6-7-13-23-20/h3-10,13,19H,2,11-12,14-17H2,1H3
InChIKeyWMEDONINTXICMM-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.64
Rot. Bonds7

About 2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 22017591) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID22017591
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESCCOCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1
InChIInChI=1S/C22H27N5O/c1-2-28-17-21-24-25-22(27(21)16-18-8-4-3-5-9-18)19-11-14-26(15-12-19)20-10-6-7-13-23-20/h3-10,13,19H,2,11-12,14-17H2,1H3
InChIKeyWMEDONINTXICMM-UHFFFAOYSA-N
XLogP3.64
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N3-(4-(4-morpholinocyclohexyl)phenyl)-1-(pyridin-2-yl)-1H-1,2,4-triazole-3,5-diamine
CID 11604142
3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
CID 91618245
4-(5,6-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4912264
3-Phenyl-6-(4-morpholinyl)-(1,2,4)triazolo(4,3-b)pyridazine
CID 1505512
Pyrazolo[1,5-a]-1,3,5-triazine, 13-9
CID 42618215
Pyrazolo pyrimidine, 5i
CID 44520814
Pyrazolo pyrimidine, 5j
CID 44520815
4-[[1-(2-Phenylethyl)tetrazol-5-yl]-pyridin-3-ylmethyl]morpholine
CID 3229139
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
4-(5-Isopropyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4870355
4-(5-Methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4906222
4-(5-Methyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4909114

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 22017591) is 2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is CCOCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1.
What is the InChIKey of 2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is WMEDONINTXICMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-28-17-21-24-25-22(27(21)16-18-8-4-3-5-9-18)19-11-14-26(15-12-19)20-10-6-7-13-23-20/h3-10,13,19H,2,11-12,14-17H2,1H3.
What are the key properties of 2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 377.49 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-benzyl-5-(ethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 22017591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).