3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine

C14H26N4 — CID 55111099

IUPAC3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
SMILESCC(C)Cc1nc(CCC2CCCNC2)n(C)n1
InChIInChI=1S/C14H26N4/c1-11(2)9-13-16-14(18(3)17-13)7-6-12-5-4-8-15-10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyIHGJOGUMLDBFHZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.95
Rot. Bonds5

About 3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine

3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine (PubChem CID 55111099) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
PubChem CID55111099
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
SMILESCC(C)Cc1nc(CCC2CCCNC2)n(C)n1
InChIInChI=1S/C14H26N4/c1-11(2)9-13-16-14(18(3)17-13)7-6-12-5-4-8-15-10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyIHGJOGUMLDBFHZ-UHFFFAOYSA-N
XLogP1.95
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylbutyl)piperidine
CID 53409753
3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
CID 84687878
3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]azepane
CID 84676347
3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 62695306
3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 62691493
3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
CID 62357214
1,3,4-trimethyl-5-(2-pyrrolidin-3-ylethyl)pyrazole
CID 83858637
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
3-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]piperidine
CID 62357888
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]azepane
CID 176697634
2-[2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 62722485
N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 106625018

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The IUPAC name of 3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine (CID 55111099) is 3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine.
What is the SMILES notation for 3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The canonical SMILES for 3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine is CC(C)Cc1nc(CCC2CCCNC2)n(C)n1.
What is the InChIKey of 3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The InChIKey is IHGJOGUMLDBFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)9-13-16-14(18(3)17-13)7-6-12-5-4-8-15-10-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine has a molecular weight of 250.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine is sourced from PubChem (CID 55111099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).