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

C16H23N5 — CID 122562575

IUPAC1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine
SMILESCc1ccccc1N1CCC(NCCn2ccnn2)CC1
InChIInChI=1S/C16H23N5/c1-14-4-2-3-5-16(14)20-10-6-15(7-11-20)17-8-12-21-13-9-18-19-21/h2-5,9,13,15,17H,6-8,10-12H2,1H3
InChIKeyMCZHCOKEMFZXSK-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.85
Rot. Bonds5

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

1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine (PubChem CID 122562575) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine
PubChem CID122562575
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine
SMILESCc1ccccc1N1CCC(NCCn2ccnn2)CC1
InChIInChI=1S/C16H23N5/c1-14-4-2-3-5-16(14)20-10-6-15(7-11-20)17-8-12-21-13-9-18-19-21/h2-5,9,13,15,17H,6-8,10-12H2,1H3
InChIKeyMCZHCOKEMFZXSK-UHFFFAOYSA-N
XLogP1.85
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine (CID 122562575) is 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine is Cc1ccccc1N1CCC(NCCn2ccnn2)CC1.
What is the InChIKey of 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine?
The InChIKey is MCZHCOKEMFZXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-14-4-2-3-5-16(14)20-10-6-15(7-11-20)17-8-12-21-13-9-18-19-21/h2-5,9,13,15,17H,6-8,10-12H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine?
1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 122562575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).