N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline

C15H21N5 — CID 115742901

IUPACN-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline
SMILESCn1nncc1CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H21N5/c1-19-15(12-17-18-19)11-16-13-5-7-14(8-6-13)20-9-3-2-4-10-20/h5-8,12,16H,2-4,9-11H2,1H3
InChIKeyWGJQWLDENJUHLJ-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.42
Rot. Bonds4

About N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline

N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline (PubChem CID 115742901) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline
PubChem CID115742901
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline
SMILESCn1nncc1CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H21N5/c1-19-15(12-17-18-19)11-16-13-5-7-14(8-6-13)20-9-3-2-4-10-20/h5-8,12,16H,2-4,9-11H2,1H3
InChIKeyWGJQWLDENJUHLJ-UHFFFAOYSA-N
XLogP2.42
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 79568946
4-cyclopentylsulfanyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115743215
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 43715681
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
N-[(2-methylpyrazol-3-yl)methyl]-6-piperidin-1-ylpyridin-3-amine
CID 43690355
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline
CID 66414741
1-[5-[(3-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 115682421
N-[(1-ethenylpyrazol-4-yl)methyl]-4-piperidin-1-ylaniline
CID 106936091
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline (CID 115742901) is N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline is Cn1nncc1CNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline?
The InChIKey is WGJQWLDENJUHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-19-15(12-17-18-19)11-16-13-5-7-14(8-6-13)20-9-3-2-4-10-20/h5-8,12,16H,2-4,9-11H2,1H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline?
N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline has a molecular weight of 271.37 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)methyl]-4-piperidin-1-ylaniline is sourced from PubChem (CID 115742901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).