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

C13H24N4 — CID 55107636

IUPAC3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
SMILESCC(C)Cn1cnnc1CCC1CCCNC1
InChIInChI=1S/C13H24N4/c1-11(2)9-17-10-15-16-13(17)6-5-12-4-3-7-14-8-12/h10-12,14H,3-9H2,1-2H3
InChIKeyHMYATDSRSYBNQR-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.87
Rot. Bonds5

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

3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine (PubChem CID 55107636) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine.

Molecular Properties

Compound Name3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
PubChem CID55107636
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine
SMILESCC(C)Cn1cnnc1CCC1CCCNC1
InChIInChI=1S/C13H24N4/c1-11(2)9-17-10-15-16-13(17)6-5-12-4-3-7-14-8-12/h10-12,14H,3-9H2,1-2H3
InChIKeyHMYATDSRSYBNQR-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The IUPAC name of 3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine (CID 55107636) is 3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine.
What is the SMILES notation for 3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The canonical SMILES for 3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine is CC(C)Cn1cnnc1CCC1CCCNC1.
What is the InChIKey of 3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
The InChIKey is HMYATDSRSYBNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(2)9-17-10-15-16-13(17)6-5-12-4-3-7-14-8-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine?
3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine has a molecular weight of 236.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]piperidine is sourced from PubChem (CID 55107636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).