1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C16H28N4 — CID 53192541

IUPAC1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H28N4/c1-13(2)20-12-17-18-16(20)14-8-10-19(11-9-14)15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3
InChIKeyYPKZASZSYMALMY-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.37
Rot. Bonds3

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

1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192541) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192541
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C16H28N4/c1-13(2)20-12-17-18-16(20)14-8-10-19(11-9-14)15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3
InChIKeyYPKZASZSYMALMY-UHFFFAOYSA-N
XLogP3.37
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 53192541) is 1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)n1cnnc1C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is YPKZASZSYMALMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)20-12-17-18-16(20)14-8-10-19(11-9-14)15-6-4-3-5-7-15/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 276.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).