(2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol

C12H18NO2+ — CID 719238

IUPAC(2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol
SMILESC[N+]1(C)CCO[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C12H18NO2/c1-13(2)8-9-15-12(14,10-13)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3/q+1/t12-/m1/s1
InChIKeyBIGNZUAOMJYPRO-GFCCVEGCSA-N
MW208.28 g/mol
LogP0.94
Rot. Bonds1

About (2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol

(2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol (PubChem CID 719238) has the molecular formula C12H18NO2+ and a molecular weight of 208.28 g/mol. Its IUPAC name is (2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol.

Molecular Properties

Compound Name(2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol
PubChem CID719238
Molecular FormulaC12H18NO2+
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name(2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol
SMILESC[N+]1(C)CCO[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C12H18NO2/c1-13(2)8-9-15-12(14,10-13)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3/q+1/t12-/m1/s1
InChIKeyBIGNZUAOMJYPRO-GFCCVEGCSA-N
XLogP0.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 50.94
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 (2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol?
The IUPAC name of (2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol (CID 719238) is (2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol.
What is the SMILES notation for (2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol?
The canonical SMILES for (2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol is C[N+]1(C)CCO[C@@](O)(c2ccccc2)C1.
What is the InChIKey of (2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol?
The InChIKey is BIGNZUAOMJYPRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18NO2/c1-13(2)8-9-15-12(14,10-13)11-6-4-3-5-7-11/h3-7,14H,8-10H2,1-2H3/q+1/t12-/m1/s1.
What are the key properties of (2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol?
(2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol has a molecular weight of 208.28 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-dimethyl-2-phenylmorpholin-4-ium-2-ol is sourced from PubChem (CID 719238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).