benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate

C15H16F3NO4 — CID 146597094

IUPACbenzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H16F3NO4/c16-15(17,18)14(21)23-19-8-6-12(7-9-19)13(20)22-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyDBANPPCHKHFNJI-UHFFFAOYSA-N
MW331.29 g/mol
LogP2.46
Rot. Bonds4

About benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate

benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate (PubChem CID 146597094) has the molecular formula C15H16F3NO4 and a molecular weight of 331.29 g/mol. Its IUPAC name is benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
PubChem CID146597094
Molecular FormulaC15H16F3NO4
Molecular Weight331.29 g/mol
Exact Mass331.10
IUPAC Namebenzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
SMILESO=C(OCc1ccccc1)C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H16F3NO4/c16-15(17,18)14(21)23-19-8-6-12(7-9-19)13(20)22-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyDBANPPCHKHFNJI-UHFFFAOYSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 1-cyanopiperidine-4-carboxylate
CID 156541326
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
benzyl 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 69063371
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
CID 25223025
benzyl 1-diphenoxyphosphanylpiperidine-4-carboxylate
CID 163210413
benzyl (3S)-1-acetylpyrrolidine-3-carboxylate
CID 157025963
benzyl spiro[2.5]octane-6-carboxylate
CID 66817825
benzyl piperidine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 69153815
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
acetic acid;benzyl 2,2,2-trifluoroacetate
CID 157158802
[4-[benzylsulfonyl(prop-2-enyl)carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68600618

Frequently Asked Questions

What is the IUPAC name of benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
The IUPAC name of benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate (CID 146597094) is benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate.
What is the SMILES notation for benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
The canonical SMILES for benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate is O=C(OCc1ccccc1)C1CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
The InChIKey is DBANPPCHKHFNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO4/c16-15(17,18)14(21)23-19-8-6-12(7-9-19)13(20)22-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate has a molecular weight of 331.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate is sourced from PubChem (CID 146597094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).