3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine

C20H23N5O — CID 56896012

IUPAC3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESc1ccc(-n2cc(CN3CCCC(OCc4cccnc4)C3)nn2)cc1
InChIInChI=1S/C20H23N5O/c1-2-7-19(8-3-1)25-14-18(22-23-25)13-24-11-5-9-20(15-24)26-16-17-6-4-10-21-12-17/h1-4,6-8,10,12,14,20H,5,9,11,13,15-16H2
InChIKeyRJNNAYGXZPGVBO-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.84
Rot. Bonds6

About 3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine

3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine (PubChem CID 56896012) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
PubChem CID56896012
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESc1ccc(-n2cc(CN3CCCC(OCc4cccnc4)C3)nn2)cc1
InChIInChI=1S/C20H23N5O/c1-2-7-19(8-3-1)25-14-18(22-23-25)13-24-11-5-9-20(15-24)26-16-17-6-4-10-21-12-17/h1-4,6-8,10,12,14,20H,5,9,11,13,15-16H2
InChIKeyRJNNAYGXZPGVBO-UHFFFAOYSA-N
XLogP2.84
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine (CID 56896012) is 3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine is c1ccc(-n2cc(CN3CCCC(OCc4cccnc4)C3)nn2)cc1.
What is the InChIKey of 3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine?
The InChIKey is RJNNAYGXZPGVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-7-19(8-3-1)25-14-18(22-23-25)13-24-11-5-9-20(15-24)26-16-17-6-4-10-21-12-17/h1-4,6-8,10,12,14,20H,5,9,11,13,15-16H2.
What are the key properties of 3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine?
3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine has a molecular weight of 349.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 56896012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).