4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine

C12H20N4 — CID 135259110

IUPAC4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine
SMILESC=C(CCC1CCNCC1)c1ncn(C)n1
InChIInChI=1S/C12H20N4/c1-10(12-14-9-16(2)15-12)3-4-11-5-7-13-8-6-11/h9,11,13H,1,3-8H2,2H3
InChIKeyVSNZJCFDYRZNGH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.61
Rot. Bonds4

About 4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine

4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine (PubChem CID 135259110) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine.

Molecular Properties

Compound Name4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine
PubChem CID135259110
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine
SMILESC=C(CCC1CCNCC1)c1ncn(C)n1
InChIInChI=1S/C12H20N4/c1-10(12-14-9-16(2)15-12)3-4-11-5-7-13-8-6-11/h9,11,13H,1,3-8H2,2H3
InChIKeyVSNZJCFDYRZNGH-UHFFFAOYSA-N
XLogP1.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine?
The IUPAC name of 4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine (CID 135259110) is 4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine.
What is the SMILES notation for 4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine?
The canonical SMILES for 4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine is C=C(CCC1CCNCC1)c1ncn(C)n1.
What is the InChIKey of 4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine?
The InChIKey is VSNZJCFDYRZNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(12-14-9-16(2)15-12)3-4-11-5-7-13-8-6-11/h9,11,13H,1,3-8H2,2H3.
What are the key properties of 4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine?
4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine has a molecular weight of 220.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methyl-1,2,4-triazol-3-yl)but-3-enyl]piperidine is sourced from PubChem (CID 135259110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).