2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine

C19H21N5 — CID 56918216

IUPAC2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine
SMILESc1ccc(-n2cc(CN3CCCCC3c3ccccn3)nn2)cc1
InChIInChI=1S/C19H21N5/c1-2-8-17(9-3-1)24-15-16(21-22-24)14-23-13-7-5-11-19(23)18-10-4-6-12-20-18/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2
InChIKeyQJBHJWITTMOXMR-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.39
Rot. Bonds4

About 2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine

2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine (PubChem CID 56918216) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine
PubChem CID56918216
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine
SMILESc1ccc(-n2cc(CN3CCCCC3c3ccccn3)nn2)cc1
InChIInChI=1S/C19H21N5/c1-2-8-17(9-3-1)24-15-16(21-22-24)14-23-13-7-5-11-19(23)18-10-4-6-12-20-18/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2
InChIKeyQJBHJWITTMOXMR-UHFFFAOYSA-N
XLogP3.39
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methanamine
CID 95719321
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 56897456
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
5-propan-2-yl-3-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,2-oxazole
CID 124749238
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061
1-phenyl-4-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]triazole
CID 95609459
2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 99948448
7-methyl-2-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 124751830
3-amino-N-[[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581394
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine (CID 56918216) is 2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine is c1ccc(-n2cc(CN3CCCCC3c3ccccn3)nn2)cc1.
What is the InChIKey of 2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine?
The InChIKey is QJBHJWITTMOXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-8-17(9-3-1)24-15-16(21-22-24)14-23-13-7-5-11-19(23)18-10-4-6-12-20-18/h1-4,6,8-10,12,15,19H,5,7,11,13-14H2.
What are the key properties of 2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine?
2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine has a molecular weight of 319.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-phenyltriazol-4-yl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 56918216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).