1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine

C14H25N5 — CID 64546155

IUPAC1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCc2ncn[nH]2)CC1
InChIInChI=1S/C14H25N5/c1-12(2)4-8-19-9-5-13(6-10-19)15-7-3-14-16-11-17-18-14/h4,11,13,15H,3,5-10H2,1-2H3,(H,16,17,18)
InChIKeyKJEGDCHFNXNYFV-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.37
Rot. Bonds6

About 1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine

1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine (PubChem CID 64546155) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
PubChem CID64546155
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCCc2ncn[nH]2)CC1
InChIInChI=1S/C14H25N5/c1-12(2)4-8-19-9-5-13(6-10-19)15-7-3-14-16-11-17-18-14/h4,11,13,15H,3,5-10H2,1-2H3,(H,16,17,18)
InChIKeyKJEGDCHFNXNYFV-UHFFFAOYSA-N
XLogP1.37
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine (CID 64546155) is 1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine is CC(C)=CCN1CCC(NCCc2ncn[nH]2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine?
The InChIKey is KJEGDCHFNXNYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-12(2)4-8-19-9-5-13(6-10-19)15-7-3-14-16-11-17-18-14/h4,11,13,15H,3,5-10H2,1-2H3,(H,16,17,18).
What are the key properties of 1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 64546155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).