3-[(5-phenyltriazol-1-yl)methyl]piperidine

C14H18N4 — CID 115044790

IUPAC3-[(5-phenyltriazol-1-yl)methyl]piperidine
SMILESc1ccc(-c2cnnn2CC2CCCNC2)cc1
InChIInChI=1S/C14H18N4/c1-2-6-13(7-3-1)14-10-16-17-18(14)11-12-5-4-8-15-9-12/h1-3,6-7,10,12,15H,4-5,8-9,11H2
InChIKeyKMJCYIILXQNYSC-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.94
Rot. Bonds3

About 3-[(5-phenyltriazol-1-yl)methyl]piperidine

3-[(5-phenyltriazol-1-yl)methyl]piperidine (PubChem CID 115044790) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-[(5-phenyltriazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(5-phenyltriazol-1-yl)methyl]piperidine
PubChem CID115044790
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name3-[(5-phenyltriazol-1-yl)methyl]piperidine
SMILESc1ccc(-c2cnnn2CC2CCCNC2)cc1
InChIInChI=1S/C14H18N4/c1-2-6-13(7-3-1)14-10-16-17-18(14)11-12-5-4-8-15-9-12/h1-3,6-7,10,12,15H,4-5,8-9,11H2
InChIKeyKMJCYIILXQNYSC-UHFFFAOYSA-N
XLogP1.94
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115036794
5-methyl-1-(pyrrolidin-3-ylmethyl)triazole
CID 115013206
3-methyl-1-(piperidin-3-ylmethyl)indazole
CID 82512943
2-(piperidin-3-ylmethyl)-1,3-dihydroisoindole
CID 62205557
3-[[4-(3-bromophenyl)-5-methylpyrazol-1-yl]methyl]piperidine
CID 84609986
7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride
CID 121210532
4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 55113009
5,6-difluoro-2-phenyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 82149802
3-(tetrazol-1-ylmethyl)piperidine
CID 82512096
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662

Frequently Asked Questions

What is the IUPAC name of 3-[(5-phenyltriazol-1-yl)methyl]piperidine?
The IUPAC name of 3-[(5-phenyltriazol-1-yl)methyl]piperidine (CID 115044790) is 3-[(5-phenyltriazol-1-yl)methyl]piperidine.
What is the SMILES notation for 3-[(5-phenyltriazol-1-yl)methyl]piperidine?
The canonical SMILES for 3-[(5-phenyltriazol-1-yl)methyl]piperidine is c1ccc(-c2cnnn2CC2CCCNC2)cc1.
What is the InChIKey of 3-[(5-phenyltriazol-1-yl)methyl]piperidine?
The InChIKey is KMJCYIILXQNYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-6-13(7-3-1)14-10-16-17-18(14)11-12-5-4-8-15-9-12/h1-3,6-7,10,12,15H,4-5,8-9,11H2.
What are the key properties of 3-[(5-phenyltriazol-1-yl)methyl]piperidine?
3-[(5-phenyltriazol-1-yl)methyl]piperidine has a molecular weight of 242.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-phenyltriazol-1-yl)methyl]piperidine is sourced from PubChem (CID 115044790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).