6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one

C16H28F3NO2 — CID 145241923

IUPAC6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one
SMILESCCCC1CCN(C(=O)C(C)CCC(CO)C(F)(F)F)CC1
InChIInChI=1S/C16H28F3NO2/c1-3-4-13-7-9-20(10-8-13)15(22)12(2)5-6-14(11-21)16(17,18)19/h12-14,21H,3-11H2,1-2H3
InChIKeyHDHDJXUNRVPABA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.61
Rot. Bonds7

About 6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one

6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one (PubChem CID 145241923) has the molecular formula C16H28F3NO2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one
PubChem CID145241923
Molecular FormulaC16H28F3NO2
Molecular Weight323.40 g/mol
Exact Mass323.21
IUPAC Name6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one
SMILESCCCC1CCN(C(=O)C(C)CCC(CO)C(F)(F)F)CC1
InChIInChI=1S/C16H28F3NO2/c1-3-4-13-7-9-20(10-8-13)15(22)12(2)5-6-14(11-21)16(17,18)19/h12-14,21H,3-11H2,1-2H3
InChIKeyHDHDJXUNRVPABA-UHFFFAOYSA-N
XLogP3.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-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

N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide
CID 91264883
(4,4-Difluorocyclohexyl)methanol;1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 164604891
3-[1-(3,3,3-Trifluoropropanoyl)piperidin-4-yl]propanoic acid
CID 62216109
2,2,2-Trifluoro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62357632
3,3,3-Trifluoro-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62370570
4,4,4-Trifluoro-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 65711172
3-[1-(4,4,4-Trifluorobutanoyl)piperidin-4-yl]propanoic acid
CID 65711706
[3-(2-Hydroxyethyl)piperidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81660790
[3-(2-Hydroxyethyl)piperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81929258
[1-(4,4-Difluorocyclohexanecarbonyl)piperidin-4-yl]methanol
CID 81932288
(4,4-Difluorocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 81932680
3-(Oxan-4-yl)-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 91644806

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one?
The IUPAC name of 6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one (CID 145241923) is 6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one.
What is the SMILES notation for 6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one?
The canonical SMILES for 6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one is CCCC1CCN(C(=O)C(C)CCC(CO)C(F)(F)F)CC1.
What is the InChIKey of 6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one?
The InChIKey is HDHDJXUNRVPABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO2/c1-3-4-13-7-9-20(10-8-13)15(22)12(2)5-6-14(11-21)16(17,18)19/h12-14,21H,3-11H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one?
6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one has a molecular weight of 323.40 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-5-(hydroxymethyl)-2-methyl-1-(4-propylpiperidin-1-yl)hexan-1-one is sourced from PubChem (CID 145241923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).