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

C14H19N5 — CID 29009204

IUPAC1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cnn(-c3ccccc3)n2)CC1
InChIInChI=1S/C14H19N5/c15-12-6-8-18(9-7-12)11-13-10-16-19(17-13)14-4-2-1-3-5-14/h1-5,10,12H,6-9,11,15H2
InChIKeyHLSSETNUFTUHIH-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.19
Rot. Bonds3

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

1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine (PubChem CID 29009204) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine
PubChem CID29009204
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cnn(-c3ccccc3)n2)CC1
InChIInChI=1S/C14H19N5/c15-12-6-8-18(9-7-12)11-13-10-16-19(17-13)14-4-2-1-3-5-14/h1-5,10,12H,6-9,11,15H2
InChIKeyHLSSETNUFTUHIH-UHFFFAOYSA-N
XLogP1.19
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917977
1-[(2-phenyltriazol-4-yl)methyl]piperazine;hydrochloride
CID 119904272
4-[[3-(3-methylphenyl)pyrrolidin-1-yl]methyl]-2-phenyltriazole
CID 167809385
1-[(2-phenyltriazol-4-yl)methyl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 51116318
2-[(2R)-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 97325868
(2R)-1-[4-[[(2-phenyltriazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95290386
3-cyclopropyl-N-[(2-phenyltriazol-4-yl)methyl]propan-1-amine
CID 115639415
(2R)-1-[(2R)-2-methyl-4-[(2-phenyltriazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95602266
1-cyclohex-3-en-1-yl-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 60957859
3,4-dimethyl-1-[(2-phenyltriazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 75376279
N-cyclopentyloxy-1-(2-phenyltriazol-4-yl)methanamine
CID 83228649
[1-[(1-phenylpyrazol-3-yl)methyl]piperidin-4-yl]methanamine
CID 62885174

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine (CID 29009204) is 1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine is NC1CCN(Cc2cnn(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is HLSSETNUFTUHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c15-12-6-8-18(9-7-12)11-13-10-16-19(17-13)14-4-2-1-3-5-14/h1-5,10,12H,6-9,11,15H2.
What are the key properties of 1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine?
1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyltriazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 29009204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).