4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C10H18N4 — CID 50988293

IUPAC4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCNCC1
InChIInChI=1S/C10H18N4/c1-8(2)14-7-12-13-10(14)9-3-5-11-6-4-9/h7-9,11H,3-6H2,1-2H3
InChIKeySWGWCGKFUYIGHB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.33
Rot. Bonds2

About 4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 50988293) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID50988293
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCNCC1
InChIInChI=1S/C10H18N4/c1-8(2)14-7-12-13-10(14)9-3-5-11-6-4-9/h7-9,11H,3-6H2,1-2H3
InChIKeySWGWCGKFUYIGHB-UHFFFAOYSA-N
XLogP1.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 50988293) is 4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)n1cnnc1C1CCNCC1.
What is the InChIKey of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is SWGWCGKFUYIGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)14-7-12-13-10(14)9-3-5-11-6-4-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 50988293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).