2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine

C12H21N5 — CID 90989533

IUPAC2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(C2CCC(N3CCCCC3)NC2)n1
InChIInChI=1S/C12H21N5/c1-2-6-17(7-3-1)11-5-4-10(8-13-11)12-14-9-15-16-12/h9-11,13H,1-8H2,(H,14,15,16)
InChIKeyFYHINILMXVXWND-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.08
Rot. Bonds2

About 2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine

2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 90989533) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID90989533
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine
SMILESc1n[nH]c(C2CCC(N3CCCCC3)NC2)n1
InChIInChI=1S/C12H21N5/c1-2-6-17(7-3-1)11-5-4-10(8-13-11)12-14-9-15-16-12/h9-11,13H,1-8H2,(H,14,15,16)
InChIKeyFYHINILMXVXWND-UHFFFAOYSA-N
XLogP1.08
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine (CID 90989533) is 2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine is c1n[nH]c(C2CCC(N3CCCCC3)NC2)n1.
What is the InChIKey of 2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is FYHINILMXVXWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-2-6-17(7-3-1)11-5-4-10(8-13-11)12-14-9-15-16-12/h9-11,13H,1-8H2,(H,14,15,16).
What are the key properties of 2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine?
2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 235.33 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 90989533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).