1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione

C11H17F3N2O2 — CID 110479376

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione
SMILESCN(C)C1CCN(C(=O)CC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O2/c1-15(2)8-3-5-16(6-4-8)10(18)7-9(17)11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyPTKMTAOPBZJKPI-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.06
Rot. Bonds3

About 1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione

1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione (PubChem CID 110479376) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione
PubChem CID110479376
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione
SMILESCN(C)C1CCN(C(=O)CC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O2/c1-15(2)8-3-5-16(6-4-8)10(18)7-9(17)11(12,13)14/h8H,3-7H2,1-2H3
InChIKeyPTKMTAOPBZJKPI-UHFFFAOYSA-N
XLogP1.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-(Diethylamino)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 63821595
1-[4-(Diethylamino)piperidin-1-yl]-2,2,3,3,3-pentafluoropropan-1-one
CID 108094620
4,4,4-Trifluoro-1-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]butane-1,3-dione
CID 53870638
N-ethyl-2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)acetamide
CID 59870788
2,2,2-trifluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 63374840
1-(4,4,4-Trifluorobutanoyl)piperidin-4-one
CID 65712362
1-(1,1,1-Trifluoropropan-2-yl)piperidine-2,4-dione
CID 117896139
4,4,4-Trifluoro-1-(1-piperidinyl)-1,3-butanedione
CID 123381986
N-(2,2-difluoroethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 126549497
N-(1-methylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 126549500
N-(2,2-difluoropropyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 126549503
N-ethyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 126549542

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione (CID 110479376) is 1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione is CN(C)C1CCN(C(=O)CC(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione?
The InChIKey is PTKMTAOPBZJKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-15(2)8-3-5-16(6-4-8)10(18)7-9(17)11(12,13)14/h8H,3-7H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione?
1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione has a molecular weight of 266.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]-4,4,4-trifluorobutane-1,3-dione is sourced from PubChem (CID 110479376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).