1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate

C11H18F3NO2 — CID 59203995

IUPAC1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate
SMILESCC(OC(=O)CCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-9(11(12,13)14)17-10(16)5-8-15-6-3-2-4-7-15/h9H,2-8H2,1H3
InChIKeyKWEZCPZOIRFOMB-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.36
Rot. Bonds4

About 1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate

1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate (PubChem CID 59203995) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate
PubChem CID59203995
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate
SMILESCC(OC(=O)CCN1CCCCC1)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-9(11(12,13)14)17-10(16)5-8-15-6-3-2-4-7-15/h9H,2-8H2,1H3
InChIKeyKWEZCPZOIRFOMB-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate 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-Piperidinepropanoic acid, ethyl ester
CID 88183
1-Methyl-4-piperidyl acetate
CID 151427
1-(Methyl-11C)-4-piperidinyl acetate
CID 450361
MP-4P C-11
CID 6540307
Ethyl 3-(4-oxopiperidin-1-yl)propanoate
CID 11984242
[1-(2-(18F)fluoroethyl)piperidin-4-yl] acetate
CID 450034
N-methylpiperidin-4-yl propionate
CID 133349
1-Methylpiperidin-4-yl butanoate
CID 9815447
1-Methylpiperidin-4-yl (1-~13~C)acetate
CID 66995449
4-Piperidinol, 1-methyl-, propanoate, hydrochloride
CID 12391964
[1-(2-Fluoroethyl)piperidin-4-yl] acetate
CID 10081206
Ethyl 3-(1-methylpiperidin-1-ium-1-yl)propanoate iodide
CID 24189268

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate?
The IUPAC name of 1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate (CID 59203995) is 1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate.
What is the SMILES notation for 1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate?
The canonical SMILES for 1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate is CC(OC(=O)CCN1CCCCC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate?
The InChIKey is KWEZCPZOIRFOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-9(11(12,13)14)17-10(16)5-8-15-6-3-2-4-7-15/h9H,2-8H2,1H3.
What are the key properties of 1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate?
1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate has a molecular weight of 253.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yl 3-piperidin-1-ylpropanoate is sourced from PubChem (CID 59203995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).