4-[[2-(triazol-1-yl)phenyl]methyl]piperidine

C14H18N4 — CID 117358240

IUPAC4-[[2-(triazol-1-yl)phenyl]methyl]piperidine
SMILESc1ccc(-n2ccnn2)c(CC2CCNCC2)c1
InChIInChI=1S/C14H18N4/c1-2-4-14(18-10-9-16-17-18)13(3-1)11-12-5-7-15-8-6-12/h1-4,9-10,12,15H,5-8,11H2
InChIKeyYVFZJFCVTFPKQH-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.81
Rot. Bonds3

About 4-[[2-(triazol-1-yl)phenyl]methyl]piperidine

4-[[2-(triazol-1-yl)phenyl]methyl]piperidine (PubChem CID 117358240) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-[[2-(triazol-1-yl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-(triazol-1-yl)phenyl]methyl]piperidine
PubChem CID117358240
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-[[2-(triazol-1-yl)phenyl]methyl]piperidine
SMILESc1ccc(-n2ccnn2)c(CC2CCNCC2)c1
InChIInChI=1S/C14H18N4/c1-2-4-14(18-10-9-16-17-18)13(3-1)11-12-5-7-15-8-6-12/h1-4,9-10,12,15H,5-8,11H2
InChIKeyYVFZJFCVTFPKQH-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(triazol-1-yl)phenyl]methyl]piperazine
CID 117360479
N-[2-(triazol-1-yl)phenyl]piperidin-4-amine
CID 54902595
1-[2-(chloromethyl)phenyl]triazole
CID 140640955
O-[[2-(triazol-1-yl)phenyl]methyl]hydroxylamine
CID 117281796
1-methyl-4-[2-(piperidin-4-ylmethyl)phenyl]piperazine
CID 117436744
1-[[2-(triazol-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117306788
4-[2-(piperidin-4-ylmethyl)phenyl]piperazine-2,6-dione
CID 117463844
[2-(piperidin-4-ylmethyl)phenyl]methanamine
CID 105456757
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
4-[2-(piperidin-4-ylmethyl)phenyl]piperidine
CID 117399981
5-(piperidin-4-ylmethyl)quinolin-8-ol
CID 117358047
1-[4-(piperidin-4-ylmethyl)naphthalen-1-yl]piperidine
CID 157470023

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(triazol-1-yl)phenyl]methyl]piperidine?
The IUPAC name of 4-[[2-(triazol-1-yl)phenyl]methyl]piperidine (CID 117358240) is 4-[[2-(triazol-1-yl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[2-(triazol-1-yl)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[2-(triazol-1-yl)phenyl]methyl]piperidine is c1ccc(-n2ccnn2)c(CC2CCNCC2)c1.
What is the InChIKey of 4-[[2-(triazol-1-yl)phenyl]methyl]piperidine?
The InChIKey is YVFZJFCVTFPKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-4-14(18-10-9-16-17-18)13(3-1)11-12-5-7-15-8-6-12/h1-4,9-10,12,15H,5-8,11H2.
What are the key properties of 4-[[2-(triazol-1-yl)phenyl]methyl]piperidine?
4-[[2-(triazol-1-yl)phenyl]methyl]piperidine has a molecular weight of 242.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(triazol-1-yl)phenyl]methyl]piperidine is sourced from PubChem (CID 117358240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).