ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate

C9H14F3NO2 — CID 135039254

IUPACethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C9H14F3NO2/c1-2-15-8(14)6-4-3-5-7(13-6)9(10,11)12/h6-7,13H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyPKJQQBCAJXRAIU-NKWVEPMBSA-N
MW225.21 g/mol
LogP1.62
Rot. Bonds2

About ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate

ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate (PubChem CID 135039254) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate
PubChem CID135039254
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Nameethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C9H14F3NO2/c1-2-15-8(14)6-4-3-5-7(13-6)9(10,11)12/h6-7,13H,2-5H2,1H3/t6-,7+/m0/s1
InChIKeyPKJQQBCAJXRAIU-NKWVEPMBSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl piperidine-2-carboxylate
CID 27517
rac-2,6-dimethyl (2R,6S)-piperidine-2,6-dicarboxylate
CID 10679562
(6R)-butyl 6-methylpiperidine-2-carboxylate hydrochloride
CID 9551733
Ethyl pipecolinate hydrochloride
CID 12436225
Butyl 6-methyl-2-piperidinecarboxylate hydrochloride
CID 2834679
Dibutyl piperidine-2,6-dicarboxylate
CID 6602935
Butyl 6-methylpiperidine-2-carboxylate
CID 2834680
Ethyl 3-[(2-ethoxy-2-oxoethyl)amino]-4,4,5,5,6,6,7,7,7-nonafluoroheptanoate
CID 14983321
2-(Diethylamino)ethyl 6-methylpiperidine-2-carboxylate--hydrogen chloride (1/2)
CID 16205741
Methyl 4,4-difluoropiperidine-2-carboxylate hydrochloride
CID 138040735
Methyl 5,5-difluoropiperidine-2-carboxylate
CID 55296550
dimethyl (2S,6S)-piperidine-2,6-dicarboxylate
CID 44312686

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate?
The IUPAC name of ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate (CID 135039254) is ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate is CCOC(=O)[C@@H]1CCC[C@H](C(F)(F)F)N1.
What is the InChIKey of ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate?
The InChIKey is PKJQQBCAJXRAIU-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-15-8(14)6-4-3-5-7(13-6)9(10,11)12/h6-7,13H,2-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate?
ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate has a molecular weight of 225.21 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylate is sourced from PubChem (CID 135039254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).