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

C11H20N4 — CID 82470594

IUPAC3-(4-butyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCCn1cnnc1C1CCCNC1
InChIInChI=1S/C11H20N4/c1-2-3-7-15-9-13-14-11(15)10-5-4-6-12-8-10/h9-10,12H,2-8H2,1H3
InChIKeySVOXIHODZXIRCF-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.55
Rot. Bonds4

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

3-(4-butyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 82470594) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(4-butyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name3-(4-butyl-1,2,4-triazol-3-yl)piperidine
PubChem CID82470594
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-(4-butyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCCn1cnnc1C1CCCNC1
InChIInChI=1S/C11H20N4/c1-2-3-7-15-9-13-14-11(15)10-5-4-6-12-8-10/h9-10,12H,2-8H2,1H3
InChIKeySVOXIHODZXIRCF-UHFFFAOYSA-N
XLogP1.55
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
(3R)-3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidine
CID 94554646
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
CID 62710906
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
CID 62710235
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
CID 79316888
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
(3S)-3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine
CID 97195843
3-[1-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]triazol-4-yl]piperidine
CID 72877858
1-pentyl-3-piperidin-3-ylindazole
CID 67818379

Frequently Asked Questions

What is the IUPAC name of 3-(4-butyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 3-(4-butyl-1,2,4-triazol-3-yl)piperidine (CID 82470594) is 3-(4-butyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 3-(4-butyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 3-(4-butyl-1,2,4-triazol-3-yl)piperidine is CCCCn1cnnc1C1CCCNC1.
What is the InChIKey of 3-(4-butyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is SVOXIHODZXIRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-3-7-15-9-13-14-11(15)10-5-4-6-12-8-10/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-(4-butyl-1,2,4-triazol-3-yl)piperidine?
3-(4-butyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 208.31 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 82470594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).