4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol

C20H25NO — CID 66911347

IUPAC4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol
SMILESCN(C)C1(c2ccccc2)CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H25NO/c1-21(2)19(17-9-5-3-6-10-17)13-15-20(22,16-14-19)18-11-7-4-8-12-18/h3-12,22H,13-16H2,1-2H3
InChIKeyJUUXBSSXSLHJHP-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.91
Rot. Bonds3

About 4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol

4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol (PubChem CID 66911347) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol
PubChem CID66911347
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol
SMILESCN(C)C1(c2ccccc2)CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C20H25NO/c1-21(2)19(17-9-5-3-6-10-17)13-15-20(22,16-14-19)18-11-7-4-8-12-18/h3-12,22H,13-16H2,1-2H3
InChIKeyJUUXBSSXSLHJHP-UHFFFAOYSA-N
XLogP3.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol?
The IUPAC name of 4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol (CID 66911347) is 4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol.
What is the SMILES notation for 4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol?
The canonical SMILES for 4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol is CN(C)C1(c2ccccc2)CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol?
The InChIKey is JUUXBSSXSLHJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-21(2)19(17-9-5-3-6-10-17)13-15-20(22,16-14-19)18-11-7-4-8-12-18/h3-12,22H,13-16H2,1-2H3.
What are the key properties of 4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol?
4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1,4-diphenylcyclohexan-1-ol is sourced from PubChem (CID 66911347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).