1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine

C19H30N6 — CID 118165625

IUPAC1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine
SMILESCC(C)c1ccc(CCN(C)C2CCN(c3n[nH]c(N)n3)CC2)cc1
InChIInChI=1S/C19H30N6/c1-14(2)16-6-4-15(5-7-16)8-11-24(3)17-9-12-25(13-10-17)19-21-18(20)22-23-19/h4-7,14,17H,8-13H2,1-3H3,(H3,20,21,22,23)
InChIKeyMPDJFIUXYFJBJJ-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.65
Rot. Bonds6

About 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine

1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine (PubChem CID 118165625) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine
PubChem CID118165625
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine
SMILESCC(C)c1ccc(CCN(C)C2CCN(c3n[nH]c(N)n3)CC2)cc1
InChIInChI=1S/C19H30N6/c1-14(2)16-6-4-15(5-7-16)8-11-24(3)17-9-12-25(13-10-17)19-21-18(20)22-23-19/h4-7,14,17H,8-13H2,1-3H3,(H3,20,21,22,23)
InChIKeyMPDJFIUXYFJBJJ-UHFFFAOYSA-N
XLogP2.65
TPSA74.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine (CID 118165625) is 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine is CC(C)c1ccc(CCN(C)C2CCN(c3n[nH]c(N)n3)CC2)cc1.
What is the InChIKey of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine?
The InChIKey is MPDJFIUXYFJBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-14(2)16-6-4-15(5-7-16)8-11-24(3)17-9-12-25(13-10-17)19-21-18(20)22-23-19/h4-7,14,17H,8-13H2,1-3H3,(H3,20,21,22,23).
What are the key properties of 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine?
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine has a molecular weight of 342.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 118165625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).