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

C15H27N5 — CID 53192540

IUPAC1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C15H27N5/c1-12(2)20-11-17-18-15(20)13-5-9-19(10-6-13)14-3-7-16-8-4-14/h11-14,16H,3-10H2,1-2H3
InChIKeyUWJLRKACDAOTEH-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.79
Rot. Bonds3

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

1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 53192540) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID53192540
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCN(C2CCNCC2)CC1
InChIInChI=1S/C15H27N5/c1-12(2)20-11-17-18-15(20)13-5-9-19(10-6-13)14-3-7-16-8-4-14/h11-14,16H,3-10H2,1-2H3
InChIKeyUWJLRKACDAOTEH-UHFFFAOYSA-N
XLogP1.79
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 53192540) is 1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)n1cnnc1C1CCN(C2CCNCC2)CC1.
What is the InChIKey of 1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is UWJLRKACDAOTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12(2)20-11-17-18-15(20)13-5-9-19(10-6-13)14-3-7-16-8-4-14/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 277.42 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 53192540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).