4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium

C14H28NO2+ — CID 149486635

IUPAC4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium
SMILESCC(C)C1CCC(C[N+]2(O)CCOCC2)CC1
InChIInChI=1S/C14H28NO2/c1-12(2)14-5-3-13(4-6-14)11-15(16)7-9-17-10-8-15/h12-14,16H,3-11H2,1-2H3/q+1
InChIKeyFEMJVQHYGWPOJX-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.68
Rot. Bonds3

About 4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium

4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium (PubChem CID 149486635) has the molecular formula C14H28NO2+ and a molecular weight of 242.38 g/mol. Its IUPAC name is 4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium.

Molecular Properties

Compound Name4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium
PubChem CID149486635
Molecular FormulaC14H28NO2+
Molecular Weight242.38 g/mol
Exact Mass242.21
IUPAC Name4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium
SMILESCC(C)C1CCC(C[N+]2(O)CCOCC2)CC1
InChIInChI=1S/C14H28NO2/c1-12(2)14-5-3-13(4-6-14)11-15(16)7-9-17-10-8-15/h12-14,16H,3-11H2,1-2H3/q+1
InChIKeyFEMJVQHYGWPOJX-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium?
The IUPAC name of 4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium (CID 149486635) is 4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium.
What is the SMILES notation for 4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium?
The canonical SMILES for 4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium is CC(C)C1CCC(C[N+]2(O)CCOCC2)CC1.
What is the InChIKey of 4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium?
The InChIKey is FEMJVQHYGWPOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO2/c1-12(2)14-5-3-13(4-6-14)11-15(16)7-9-17-10-8-15/h12-14,16H,3-11H2,1-2H3/q+1.
What are the key properties of 4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium?
4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium has a molecular weight of 242.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[(4-propan-2-ylcyclohexyl)methyl]morpholin-4-ium is sourced from PubChem (CID 149486635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).