[1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine

C15H21N5 — CID 82199390

IUPAC[1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine
SMILESCC1CCN(c2ccc(-n3cc(CN)nn3)cc2)CC1
InChIInChI=1S/C15H21N5/c1-12-6-8-19(9-7-12)14-2-4-15(5-3-14)20-11-13(10-16)17-18-20/h2-5,11-12H,6-10,16H2,1H3
InChIKeyJEUSBZZLJJLHIP-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.96
Rot. Bonds3

About [1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine

[1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine (PubChem CID 82199390) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is [1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine
PubChem CID82199390
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name[1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine
SMILESCC1CCN(c2ccc(-n3cc(CN)nn3)cc2)CC1
InChIInChI=1S/C15H21N5/c1-12-6-8-19(9-7-12)14-2-4-15(5-3-14)20-11-13(10-16)17-18-20/h2-5,11-12H,6-10,16H2,1H3
InChIKeyJEUSBZZLJJLHIP-UHFFFAOYSA-N
XLogP1.96
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-pyrrolidin-1-ylphenyl)triazol-4-yl]methanamine
CID 82199614
[1-(4-piperidin-1-ylphenyl)triazol-4-yl]methanamine
CID 82199434
[1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine
CID 82227869
[1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride
CID 178201309
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62437886
[1-(4-butoxyphenyl)triazol-4-yl]methanamine
CID 82200486
1-(2-aminoethyl)-5-(4-methylpiperidin-1-yl)pyridin-2-one
CID 82032054
1-[[4-(aminomethyl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)pyridin-2-one
CID 94758177
1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
ethane;4-methyl-1-phenylpiperidine
CID 143180672
4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine
CID 91674771
[1-[4-methyl-3-(trifluoromethyl)phenyl]triazol-4-yl]methanamine
CID 55029966

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine (CID 82199390) is [1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine is CC1CCN(c2ccc(-n3cc(CN)nn3)cc2)CC1.
What is the InChIKey of [1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine?
The InChIKey is JEUSBZZLJJLHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-6-8-19(9-7-12)14-2-4-15(5-3-14)20-11-13(10-16)17-18-20/h2-5,11-12H,6-10,16H2,1H3.
What are the key properties of [1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine?
[1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine has a molecular weight of 271.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-methylpiperidin-1-yl)phenyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82199390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).