1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol

C21H27NO — CID 118711156

IUPAC1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol
SMILESCN(C)C1(c2ccccc2)CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(23,14-16-21)17-18-9-5-3-6-10-18/h3-12,23H,13-17H2,1-2H3
InChIKeyUXKFNWQITCAPCS-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.99
Rot. Bonds4

About 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol

1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol (PubChem CID 118711156) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol
PubChem CID118711156
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol
SMILESCN(C)C1(c2ccccc2)CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C21H27NO/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(23,14-16-21)17-18-9-5-3-6-10-18/h3-12,23H,13-17H2,1-2H3
InChIKeyUXKFNWQITCAPCS-UHFFFAOYSA-N
XLogP3.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol?
The IUPAC name of 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol (CID 118711156) is 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol.
What is the SMILES notation for 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol?
The canonical SMILES for 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol is CN(C)C1(c2ccccc2)CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol?
The InChIKey is UXKFNWQITCAPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(23,14-16-21)17-18-9-5-3-6-10-18/h3-12,23H,13-17H2,1-2H3.
What are the key properties of 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol?
1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol is sourced from PubChem (CID 118711156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).