cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone

C22H33NO2 — CID 57062990

IUPACcyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)C3CCCCC3)C2)cc1
InChIInChI=1S/C22H33NO2/c1-23(2)15-16-8-10-17(11-9-16)19-12-13-21(24)20(14-19)22(25)18-6-4-3-5-7-18/h8-11,18-21,24H,3-7,12-15H2,1-2H3
InChIKeyGBYWQBXPAKRBOE-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.14
Rot. Bonds5

About cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone

cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone (PubChem CID 57062990) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone
PubChem CID57062990
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Namecyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone
SMILESCN(C)Cc1ccc(C2CCC(O)C(C(=O)C3CCCCC3)C2)cc1
InChIInChI=1S/C22H33NO2/c1-23(2)15-16-8-10-17(11-9-16)19-12-13-21(24)20(14-19)22(25)18-6-4-3-5-7-18/h8-11,18-21,24H,3-7,12-15H2,1-2H3
InChIKeyGBYWQBXPAKRBOE-UHFFFAOYSA-N
XLogP4.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-fluorophenyl)ethanone
CID 57100637
1-[5-[4-[(Dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-3-(4-fluorophenyl)prop-2-en-1-one
CID 57209308
(2S,5R)-2-(dibenzylamino)-5-hydroxy-6-methyl-1-phenylheptan-3-one
CID 14945379
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4-methyl-1-phenylhexan-3-one
CID 101151796
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4-methyl-1-phenylheptan-3-one
CID 101151797
(2S,4S,5S)-2-(dibenzylamino)-5-hydroxy-4,6-dimethyl-1-phenylheptan-3-one
CID 101151798
(2S,4S,5R)-2-(dibenzylamino)-5-hydroxy-4,6-dimethyl-1-phenylhept-6-en-3-one
CID 101151799
(2S,5S)-2-(dibenzylamino)-5-hydroxy-6-methyl-1-phenylheptan-3-one
CID 134905083
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 5-methylhexanoate
CID 12971689
[4-[4-[(Dimethylamino)methyl]phenyl]cyclohexyl] 2-cyclohexylacetate
CID 12971690
trans-O-cyclohexanoyl-4-(4-dimethylaminomethylphenyl)-cyclohexanol
CID 15347490
9-Hydroxy-1-[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]nonan-1-one
CID 19742063

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone?
The IUPAC name of cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone (CID 57062990) is cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone.
What is the SMILES notation for cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone?
The canonical SMILES for cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone is CN(C)Cc1ccc(C2CCC(O)C(C(=O)C3CCCCC3)C2)cc1.
What is the InChIKey of cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone?
The InChIKey is GBYWQBXPAKRBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-23(2)15-16-8-10-17(11-9-16)19-12-13-21(24)20(14-19)22(25)18-6-4-3-5-7-18/h8-11,18-21,24H,3-7,12-15H2,1-2H3.
What are the key properties of cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone?
cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone has a molecular weight of 343.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]methanone is sourced from PubChem (CID 57062990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).