N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline

C14H19N5 — CID 106633347

IUPACN-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline
SMILESc1ccc(-n2cncn2)c(NCC2CCCCN2)c1
InChIInChI=1S/C14H19N5/c1-2-7-14(19-11-15-10-18-19)13(6-1)17-9-12-5-3-4-8-16-12/h1-2,6-7,10-12,16-17H,3-5,8-9H2
InChIKeyAKQBGJBYJIGJTD-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.82
Rot. Bonds4

About N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline

N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline (PubChem CID 106633347) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline
PubChem CID106633347
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline
SMILESc1ccc(-n2cncn2)c(NCC2CCCCN2)c1
InChIInChI=1S/C14H19N5/c1-2-7-14(19-11-15-10-18-19)13(6-1)17-9-12-5-3-4-8-16-12/h1-2,6-7,10-12,16-17H,3-5,8-9H2
InChIKeyAKQBGJBYJIGJTD-UHFFFAOYSA-N
XLogP1.82
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106636550
N-cyclopropyl-2-(1,2,4-triazol-1-yl)aniline
CID 103439007
N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-3-amine
CID 79730381
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
N-(2,2-difluoro-2-piperidin-2-ylethyl)-2-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazol-4-amine
CID 10410866
3-[[2-(1,2,4-triazol-1-yl)anilino]methyl]benzene-1,2-diol
CID 61318676
N-(2,6-dimethylcyclohexyl)-2-(1,2,4-triazol-1-yl)aniline
CID 43711534
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43711706
[5-[[2-(1,2,4-triazol-1-yl)anilino]methyl]furan-2-yl]methanol
CID 64580527
N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline
CID 79538123
2-phenoxy-N-(piperidin-2-ylmethyl)aniline
CID 106632819
N-octyl-2-(1,2,4-triazol-1-yl)aniline
CID 43711465

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline?
The IUPAC name of N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline (CID 106633347) is N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline?
The canonical SMILES for N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline is c1ccc(-n2cncn2)c(NCC2CCCCN2)c1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline?
The InChIKey is AKQBGJBYJIGJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-7-14(19-11-15-10-18-19)13(6-1)17-9-12-5-3-4-8-16-12/h1-2,6-7,10-12,16-17H,3-5,8-9H2.
What are the key properties of N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline?
N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline has a molecular weight of 257.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)aniline is sourced from PubChem (CID 106633347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).