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

C13H24N4 — CID 55164148

IUPAC3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1(CCC)CCCNC1
InChIInChI=1S/C13H24N4/c1-3-6-13(7-5-8-14-10-13)12-16-15-11-17(12)9-4-2/h11,14H,3-10H2,1-2H3
InChIKeyRZYDZLYUCKONRN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.11
Rot. Bonds5

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

3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine (PubChem CID 55164148) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
PubChem CID55164148
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine
SMILESCCCn1cnnc1C1(CCC)CCCNC1
InChIInChI=1S/C13H24N4/c1-3-6-13(7-5-8-14-10-13)12-16-15-11-17(12)9-4-2/h11,14H,3-10H2,1-2H3
InChIKeyRZYDZLYUCKONRN-UHFFFAOYSA-N
XLogP2.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine (CID 55164148) is 3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine is CCCn1cnnc1C1(CCC)CCCNC1.
What is the InChIKey of 3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is RZYDZLYUCKONRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-6-13(7-5-8-14-10-13)12-16-15-11-17(12)9-4-2/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine?
3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 236.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3-(4-propyl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 55164148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).