N-[2-(triazol-1-yl)phenyl]piperidin-4-amine

C13H17N5 — CID 54902595

IUPACN-[2-(triazol-1-yl)phenyl]piperidin-4-amine
SMILESc1ccc(-n2ccnn2)c(NC2CCNCC2)c1
InChIInChI=1S/C13H17N5/c1-2-4-13(18-10-9-15-17-18)12(3-1)16-11-5-7-14-8-6-11/h1-4,9-11,14,16H,5-8H2
InChIKeyZJUIWYNSUVCSCD-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.43
Rot. Bonds3

About N-[2-(triazol-1-yl)phenyl]piperidin-4-amine

N-[2-(triazol-1-yl)phenyl]piperidin-4-amine (PubChem CID 54902595) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)phenyl]piperidin-4-amine
PubChem CID54902595
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC NameN-[2-(triazol-1-yl)phenyl]piperidin-4-amine
SMILESc1ccc(-n2ccnn2)c(NC2CCNCC2)c1
InChIInChI=1S/C13H17N5/c1-2-4-13(18-10-9-15-17-18)12(3-1)16-11-5-7-14-8-6-11/h1-4,9-11,14,16H,5-8H2
InChIKeyZJUIWYNSUVCSCD-UHFFFAOYSA-N
XLogP1.43
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(triazol-1-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[2-(triazol-1-yl)phenyl]piperidin-4-amine (CID 54902595) is N-[2-(triazol-1-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(triazol-1-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[2-(triazol-1-yl)phenyl]piperidin-4-amine is c1ccc(-n2ccnn2)c(NC2CCNCC2)c1.
What is the InChIKey of N-[2-(triazol-1-yl)phenyl]piperidin-4-amine?
The InChIKey is ZJUIWYNSUVCSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-4-13(18-10-9-15-17-18)12(3-1)16-11-5-7-14-8-6-11/h1-4,9-11,14,16H,5-8H2.
What are the key properties of N-[2-(triazol-1-yl)phenyl]piperidin-4-amine?
N-[2-(triazol-1-yl)phenyl]piperidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(triazol-1-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 54902595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).