4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine

C15H26N4 — CID 46993628

IUPAC4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCC(n2cc(C3CC3)nn2)CC1
InChIInChI=1S/C15H26N4/c1-3-12(2)10-18-8-6-14(7-9-18)19-11-15(16-17-19)13-4-5-13/h11-14H,3-10H2,1-2H3
InChIKeyAAAYBSZSZUBXCF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds5

About 4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine

4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine (PubChem CID 46993628) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine.

Molecular Properties

Compound Name4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine
PubChem CID46993628
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCC(n2cc(C3CC3)nn2)CC1
InChIInChI=1S/C15H26N4/c1-3-12(2)10-18-8-6-14(7-9-18)19-11-15(16-17-19)13-4-5-13/h11-14H,3-10H2,1-2H3
InChIKeyAAAYBSZSZUBXCF-UHFFFAOYSA-N
XLogP2.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
The IUPAC name of 4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine (CID 46993628) is 4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine.
What is the SMILES notation for 4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
The canonical SMILES for 4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine is CCC(C)CN1CCC(n2cc(C3CC3)nn2)CC1.
What is the InChIKey of 4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
The InChIKey is AAAYBSZSZUBXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-12(2)10-18-8-6-14(7-9-18)19-11-15(16-17-19)13-4-5-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine has a molecular weight of 262.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropyltriazol-1-yl)-1-(2-methylbutyl)piperidine is sourced from PubChem (CID 46993628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).