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

C18H32N4 — CID 46990234

IUPAC4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCC(n2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C18H32N4/c1-3-15(2)13-21-11-9-17(10-12-21)22-14-18(19-20-22)16-7-5-4-6-8-16/h14-17H,3-13H2,1-2H3
InChIKeyOLVFERIOBZHUGV-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.01
Rot. Bonds5

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

4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine (PubChem CID 46990234) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine.

Molecular Properties

Compound Name4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine
PubChem CID46990234
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCC(n2cc(C3CCCCC3)nn2)CC1
InChIInChI=1S/C18H32N4/c1-3-15(2)13-21-11-9-17(10-12-21)22-14-18(19-20-22)16-7-5-4-6-8-16/h14-17H,3-13H2,1-2H3
InChIKeyOLVFERIOBZHUGV-UHFFFAOYSA-N
XLogP4.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
The IUPAC name of 4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine (CID 46990234) is 4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine.
What is the SMILES notation for 4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
The canonical SMILES for 4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine is CCC(C)CN1CCC(n2cc(C3CCCCC3)nn2)CC1.
What is the InChIKey of 4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
The InChIKey is OLVFERIOBZHUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-3-15(2)13-21-11-9-17(10-12-21)22-14-18(19-20-22)16-7-5-4-6-8-16/h14-17H,3-13H2,1-2H3.
What are the key properties of 4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine?
4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine has a molecular weight of 304.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyltriazol-1-yl)-1-(2-methylbutyl)piperidine is sourced from PubChem (CID 46990234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).