4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine

C13H24N4 — CID 176983181

IUPAC4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine
SMILESCCCn1cc(CN2CCC(CC)CC2)nn1
InChIInChI=1S/C13H24N4/c1-3-7-17-11-13(14-15-17)10-16-8-5-12(4-2)6-9-16/h11-12H,3-10H2,1-2H3
InChIKeySNJFRNFOIWKMAK-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.31
Rot. Bonds5

About 4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine

4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine (PubChem CID 176983181) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine
PubChem CID176983181
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine
SMILESCCCn1cc(CN2CCC(CC)CC2)nn1
InChIInChI=1S/C13H24N4/c1-3-7-17-11-13(14-15-17)10-16-8-5-12(4-2)6-9-16/h11-12H,3-10H2,1-2H3
InChIKeySNJFRNFOIWKMAK-UHFFFAOYSA-N
XLogP2.31
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine?
The IUPAC name of 4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine (CID 176983181) is 4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine is CCCn1cc(CN2CCC(CC)CC2)nn1.
What is the InChIKey of 4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine?
The InChIKey is SNJFRNFOIWKMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-7-17-11-13(14-15-17)10-16-8-5-12(4-2)6-9-16/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine?
4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine has a molecular weight of 236.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(1-propyltriazol-4-yl)methyl]piperidine is sourced from PubChem (CID 176983181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).