1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol

C23H36N4O — CID 72736217

IUPAC1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
SMILESCCCCCCCCc1cn(-c2ccc(CCN3CCC(O)CC3)cc2)nn1
InChIInChI=1S/C23H36N4O/c1-2-3-4-5-6-7-8-21-19-27(25-24-21)22-11-9-20(10-12-22)13-16-26-17-14-23(28)15-18-26/h9-12,19,23,28H,2-8,13-18H2,1H3
InChIKeyRAGSUALTAJFGRN-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.17
Rot. Bonds11

About 1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol

1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol (PubChem CID 72736217) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
PubChem CID72736217
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol
SMILESCCCCCCCCc1cn(-c2ccc(CCN3CCC(O)CC3)cc2)nn1
InChIInChI=1S/C23H36N4O/c1-2-3-4-5-6-7-8-21-19-27(25-24-21)22-11-9-20(10-12-22)13-16-26-17-14-23(28)15-18-26/h9-12,19,23,28H,2-8,13-18H2,1H3
InChIKeyRAGSUALTAJFGRN-UHFFFAOYSA-N
XLogP4.17
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol (CID 72736217) is 1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol is CCCCCCCCc1cn(-c2ccc(CCN3CCC(O)CC3)cc2)nn1.
What is the InChIKey of 1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol?
The InChIKey is RAGSUALTAJFGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-2-3-4-5-6-7-8-21-19-27(25-24-21)22-11-9-20(10-12-22)13-16-26-17-14-23(28)15-18-26/h9-12,19,23,28H,2-8,13-18H2,1H3.
What are the key properties of 1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol?
1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol has a molecular weight of 384.57 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-octyltriazol-1-yl)phenyl]ethyl]piperidin-4-ol is sourced from PubChem (CID 72736217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).