1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine

C15H21N5 — CID 102798984

IUPAC1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
SMILESCC1CCN(c2n[nH]c(Cc3ccccc3)n2)CC1N
InChIInChI=1S/C15H21N5/c1-11-7-8-20(10-13(11)16)15-17-14(18-19-15)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,16H2,1H3,(H,17,18,19)
InChIKeyODKROCJDNQGAON-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.57
Rot. Bonds3

About 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine

1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine (PubChem CID 102798984) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
PubChem CID102798984
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
SMILESCC1CCN(c2n[nH]c(Cc3ccccc3)n2)CC1N
InChIInChI=1S/C15H21N5/c1-11-7-8-20(10-13(11)16)15-17-14(18-19-15)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,16H2,1H3,(H,17,18,19)
InChIKeyODKROCJDNQGAON-UHFFFAOYSA-N
XLogP1.57
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798846
1-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102799010
4-methyl-1-[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102799068
1-[5-[(4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793350
4-[3-(3-amino-4-methylpiperidin-1-yl)-1H-1,2,4-triazol-5-yl]butan-2-ol
CID 102799088
1-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]-4-methylpiperidin-3-amine
CID 102798836
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
4-methyl-1-(5-pentan-3-yl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102799076
1-[5-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-3-yl]piperidin-4-amine
CID 102793886
(3R)-3-methyl-1-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102797603
4-methyl-1-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 106752830
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989

Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The IUPAC name of 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine (CID 102798984) is 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The canonical SMILES for 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine is CC1CCN(c2n[nH]c(Cc3ccccc3)n2)CC1N.
What is the InChIKey of 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
The InChIKey is ODKROCJDNQGAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-7-8-20(10-13(11)16)15-17-14(18-19-15)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10,16H2,1H3,(H,17,18,19).
What are the key properties of 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine?
1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine has a molecular weight of 271.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine is sourced from PubChem (CID 102798984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).