ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate

C13H18F3NO3 — CID 66865273

IUPACethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H18F3NO3/c1-2-20-10(18)9-3-7-17(8-4-9)11(19)12(5-6-12)13(14,15)16/h9H,2-8H2,1H3
InChIKeyBKXZBWFPLNMPBV-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.13
Rot. Bonds3

About ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate

ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate (PubChem CID 66865273) has the molecular formula C13H18F3NO3 and a molecular weight of 293.28 g/mol. Its IUPAC name is ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
PubChem CID66865273
Molecular FormulaC13H18F3NO3
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC Nameethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C13H18F3NO3/c1-2-20-10(18)9-3-7-17(8-4-9)11(19)12(5-6-12)13(14,15)16/h9H,2-8H2,1H3
InChIKeyBKXZBWFPLNMPBV-UHFFFAOYSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 690430
CID 690430
CID 670003
CID 670003
CID 16641058
CID 16641058
CID 777600
CID 777600
CID 126741612
CID 126741612
CID 2903923
CID 2903923
CID 146161419
CID 146161419
CID 3961472
CID 3961472
CID 588490
CID 588490
CID 601868
CID 601868
CID 22217585
CID 22217585
CID 19622894
CID 19622894

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate (CID 66865273) is ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CC2)CC1.
What is the InChIKey of ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate?
The InChIKey is BKXZBWFPLNMPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-2-20-10(18)9-3-7-17(8-4-9)11(19)12(5-6-12)13(14,15)16/h9H,2-8H2,1H3.
What are the key properties of ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate?
ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate has a molecular weight of 293.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 66865273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).