3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine

C13H24N4 — CID 81046967

IUPAC3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
SMILESCCCc1n[nH]c(CC(C)C2CCCNC2)n1
InChIInChI=1S/C13H24N4/c1-3-5-12-15-13(17-16-12)8-10(2)11-6-4-7-14-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyVYEXZZPOBUNESE-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.94
Rot. Bonds5

About 3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine

3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine (PubChem CID 81046967) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine.

Molecular Properties

Compound Name3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
PubChem CID81046967
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
SMILESCCCc1n[nH]c(CC(C)C2CCCNC2)n1
InChIInChI=1S/C13H24N4/c1-3-5-12-15-13(17-16-12)8-10(2)11-6-4-7-14-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyVYEXZZPOBUNESE-UHFFFAOYSA-N
XLogP1.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine
CID 81046969
3-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
CID 84687878
2-(2-piperidin-3-ylpropyl)-1-propylbenzimidazole
CID 81050071
3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81046287
3-pentan-2-ylazepane
CID 107889859
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81047095
3-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-2-yl]piperidine
CID 114286480
3-(cyclopentylsulfanylmethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048201
6-methyl-2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046290
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048775
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine?
The IUPAC name of 3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine (CID 81046967) is 3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine.
What is the SMILES notation for 3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine?
The canonical SMILES for 3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine is CCCc1n[nH]c(CC(C)C2CCCNC2)n1.
What is the InChIKey of 3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine?
The InChIKey is VYEXZZPOBUNESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-5-12-15-13(17-16-12)8-10(2)11-6-4-7-14-9-11/h10-11,14H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine?
3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine has a molecular weight of 236.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-propyl-1H-1,2,4-triazol-5-yl)propan-2-yl]piperidine is sourced from PubChem (CID 81046967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).