4-(dimethylamino)-4-phenylcyclohexane-1,1-diol

C14H21NO2 — CID 70971369

IUPAC4-(dimethylamino)-4-phenylcyclohexane-1,1-diol
SMILESCN(C)C1(c2ccccc2)CCC(O)(O)CC1
InChIInChI=1S/C14H21NO2/c1-15(2)13(12-6-4-3-5-7-12)8-10-14(16,17)11-9-13/h3-7,16-17H,8-11H2,1-2H3
InChIKeyCVWWAIABWMZEFB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.70
Rot. Bonds2

About 4-(dimethylamino)-4-phenylcyclohexane-1,1-diol

4-(dimethylamino)-4-phenylcyclohexane-1,1-diol (PubChem CID 70971369) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(dimethylamino)-4-phenylcyclohexane-1,1-diol.

Molecular Properties

Compound Name4-(dimethylamino)-4-phenylcyclohexane-1,1-diol
PubChem CID70971369
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(dimethylamino)-4-phenylcyclohexane-1,1-diol
SMILESCN(C)C1(c2ccccc2)CCC(O)(O)CC1
InChIInChI=1S/C14H21NO2/c1-15(2)13(12-6-4-3-5-7-12)8-10-14(16,17)11-9-13/h3-7,16-17H,8-11H2,1-2H3
InChIKeyCVWWAIABWMZEFB-UHFFFAOYSA-N
XLogP1.70
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-phenylcyclohexane-1,1-diol?
The IUPAC name of 4-(dimethylamino)-4-phenylcyclohexane-1,1-diol (CID 70971369) is 4-(dimethylamino)-4-phenylcyclohexane-1,1-diol.
What is the SMILES notation for 4-(dimethylamino)-4-phenylcyclohexane-1,1-diol?
The canonical SMILES for 4-(dimethylamino)-4-phenylcyclohexane-1,1-diol is CN(C)C1(c2ccccc2)CCC(O)(O)CC1.
What is the InChIKey of 4-(dimethylamino)-4-phenylcyclohexane-1,1-diol?
The InChIKey is CVWWAIABWMZEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15(2)13(12-6-4-3-5-7-12)8-10-14(16,17)11-9-13/h3-7,16-17H,8-11H2,1-2H3.
What are the key properties of 4-(dimethylamino)-4-phenylcyclohexane-1,1-diol?
4-(dimethylamino)-4-phenylcyclohexane-1,1-diol has a molecular weight of 235.33 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-phenylcyclohexane-1,1-diol is sourced from PubChem (CID 70971369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).