1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one

C19H29NO2 — CID 57005149

IUPAC1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one
SMILESCCCC(=O)C1CC(c2ccc(CN(C)C)cc2)CCC1O
InChIInChI=1S/C19H29NO2/c1-4-5-18(21)17-12-16(10-11-19(17)22)15-8-6-14(7-9-15)13-20(2)3/h6-9,16-17,19,22H,4-5,10-13H2,1-3H3
InChIKeyKWVTUYFPBRJVHC-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.36
Rot. Bonds6

About 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one

1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one (PubChem CID 57005149) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one.

Molecular Properties

Compound Name1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one
PubChem CID57005149
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one
SMILESCCCC(=O)C1CC(c2ccc(CN(C)C)cc2)CCC1O
InChIInChI=1S/C19H29NO2/c1-4-5-18(21)17-12-16(10-11-19(17)22)15-8-6-14(7-9-15)13-20(2)3/h6-9,16-17,19,22H,4-5,10-13H2,1-3H3
InChIKeyKWVTUYFPBRJVHC-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
5-(4-Fluorophenyl)-3-(1-hydroxyethyl)-5-piperidin-1-ylpentan-2-one
CID 67739998
(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
(3S,5S,6S)-3-(dibenzylamino)-6-hydroxy-2,5-dimethyloctan-4-one
CID 134904502
(3S,5S,6S)-3-(dibenzylamino)-6-hydroxy-2,5,7-trimethyloctan-4-one
CID 134904553
(2S,5S)-2-(dibenzylamino)-5-hydroxy-6-methyl-1-phenylheptan-3-one
CID 134905083
cis-4-(4-Dimethylaminomethylphenyl)-cyclohexanol
CID 11128215
trans-O-butyryl-4-(4-dimethylaminomethylphenyl)-cyclohexanol
CID 12971687

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one?
The IUPAC name of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one (CID 57005149) is 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one.
What is the SMILES notation for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one?
The canonical SMILES for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one is CCCC(=O)C1CC(c2ccc(CN(C)C)cc2)CCC1O.
What is the InChIKey of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one?
The InChIKey is KWVTUYFPBRJVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-4-5-18(21)17-12-16(10-11-19(17)22)15-8-6-14(7-9-15)13-20(2)3/h6-9,16-17,19,22H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one?
1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one has a molecular weight of 303.45 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]butan-1-one is sourced from PubChem (CID 57005149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).