1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine

C25H47NO2 — CID 70916018

IUPAC1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine
SMILESCCCC1CCC(C2CCC(COC3CC(C)(C)N(O)C(C)(C)C3)CC2)CC1
InChIInChI=1S/C25H47NO2/c1-6-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)18-28-23-16-24(2,3)26(27)25(4,5)17-23/h19-23,27H,6-18H2,1-5H3
InChIKeyONFXFLHCDNVURK-UHFFFAOYSA-N
MW393.66 g/mol
LogP6.83
Rot. Bonds6

About 1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine

1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine (PubChem CID 70916018) has the molecular formula C25H47NO2 and a molecular weight of 393.66 g/mol. Its IUPAC name is 1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine.

Molecular Properties

Compound Name1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine
PubChem CID70916018
Molecular FormulaC25H47NO2
Molecular Weight393.66 g/mol
Exact Mass393.36
IUPAC Name1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine
SMILESCCCC1CCC(C2CCC(COC3CC(C)(C)N(O)C(C)(C)C3)CC2)CC1
InChIInChI=1S/C25H47NO2/c1-6-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)18-28-23-16-24(2,3)26(27)25(4,5)17-23/h19-23,27H,6-18H2,1-5H3
InChIKeyONFXFLHCDNVURK-UHFFFAOYSA-N
XLogP6.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.66
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine?
The IUPAC name of 1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine (CID 70916018) is 1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine.
What is the SMILES notation for 1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine?
The canonical SMILES for 1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine is CCCC1CCC(C2CCC(COC3CC(C)(C)N(O)C(C)(C)C3)CC2)CC1.
What is the InChIKey of 1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine?
The InChIKey is ONFXFLHCDNVURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47NO2/c1-6-7-19-8-12-21(13-9-19)22-14-10-20(11-15-22)18-28-23-16-24(2,3)26(27)25(4,5)17-23/h19-23,27H,6-18H2,1-5H3.
What are the key properties of 1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine?
1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine has a molecular weight of 393.66 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,6,6-tetramethyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]piperidine is sourced from PubChem (CID 70916018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).