1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine

C16H23N5 — CID 76683678

IUPAC1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C16H23N5/c1-3-7-15(8-4-1)13-21-14-16(18-19-21)17-9-12-20-10-5-2-6-11-20/h1,3-4,7-8,14,17H,2,5-6,9-13H2
InChIKeyXXDRNLWHVANHLR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.22
Rot. Bonds6

About 1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine

1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine (PubChem CID 76683678) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
PubChem CID76683678
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
SMILESc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C16H23N5/c1-3-7-15(8-4-1)13-21-14-16(18-19-21)17-9-12-20-10-5-2-6-11-20/h1,3-4,7-8,14,17H,2,5-6,9-13H2
InChIKeyXXDRNLWHVANHLR-UHFFFAOYSA-N
XLogP2.22
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The IUPAC name of 1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine (CID 76683678) is 1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine.
What is the SMILES notation for 1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The canonical SMILES for 1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine is c1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1.
What is the InChIKey of 1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine?
The InChIKey is XXDRNLWHVANHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-7-15(8-4-1)13-21-14-16(18-19-21)17-9-12-20-10-5-2-6-11-20/h1,3-4,7-8,14,17H,2,5-6,9-13H2.
What are the key properties of 1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine?
1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine has a molecular weight of 285.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine is sourced from PubChem (CID 76683678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).