ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate

C11H18F3NO2 — CID 59334005

IUPACethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-2-17-10(16)9-3-6-15(7-4-9)8-5-11(12,13)14/h9H,2-8H2,1H3
InChIKeyQCSRZGLKMGGNTD-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.21
Rot. Bonds4

About ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate

ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate (PubChem CID 59334005) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
PubChem CID59334005
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Nameethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO2/c1-2-17-10(16)9-3-6-15(7-4-9)8-5-11(12,13)14/h9H,2-8H2,1H3
InChIKeyQCSRZGLKMGGNTD-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(4,4,4-trifluorobutyl)piperidine-4-carboxylate
CID 115518003
ethyl 1-[4-amino-3-(aminomethyl)-3-methylbutyl]piperidine-4-carboxylate
CID 123231259
1-[2-(4-ethoxycarbonylpiperidin-1-yl)ethyl]piperidine-4-carboxylic acid
CID 172515768
ethyl 1-(2-aminoethyl)piperidine-4-carboxylate;dihydrochloride
CID 46172885
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
ethyl 4-(3,3,3-trifluoropropyl)piperazine-1-carboxylate
CID 171145567
1-(3,3,3-trifluoropropyl)piperidine-4-carboxylic acid
CID 59333911
ethyl 1-[2-(4-iodopiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 144962699
ethyl 1-[2-(ethylamino)ethyl]piperidine-4-carboxylate
CID 61386620
5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
1-(3,3,3-trifluoropropyl)piperidine-4-carbonyl chloride
CID 59333934

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate (CID 59334005) is ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate?
The InChIKey is QCSRZGLKMGGNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-17-10(16)9-3-6-15(7-4-9)8-5-11(12,13)14/h9H,2-8H2,1H3.
What are the key properties of ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate?
ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate is sourced from PubChem (CID 59334005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).