(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride

C7H11ClF3NO2 — CID 154577224

IUPAC(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C7H10F3NO2.ClH/c8-7(9,10)5-3-1-2-4(11-5)6(12)13;/h4-5,11H,1-3H2,(H,12,13);1H/t4-,5+;/m0./s1
InChIKeyFGEUCSHPBYRDIN-UYXJWNHNSA-N
MW233.62 g/mol
LogP1.57
Rot. Bonds1

About (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride

(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride (PubChem CID 154577224) has the molecular formula C7H11ClF3NO2 and a molecular weight of 233.62 g/mol. Its IUPAC name is (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride
PubChem CID154577224
Molecular FormulaC7H11ClF3NO2
Molecular Weight233.62 g/mol
Exact Mass233.04
IUPAC Name(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CCC[C@H](C(F)(F)F)N1
InChIInChI=1S/C7H10F3NO2.ClH/c8-7(9,10)5-3-1-2-4(11-5)6(12)13;/h4-5,11H,1-3H2,(H,12,13);1H/t4-,5+;/m0./s1
InChIKeyFGEUCSHPBYRDIN-UYXJWNHNSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.62
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pipecolic Acid
CID 849
Pipecolic acid, (-)-
CID 439227
Pipecolic acid, (+)-
CID 736316
2,6-Piperidinedicarboxylic acid
CID 557515
dl-Pipecolic acid hcl
CID 85923
NoName_3265
CID 3815667
(2R,6S)-piperidine-2,6-dicarboxylic acid
CID 10942932
2,2-Difluoro-2-(piperidin-2-yl)acetic acid hydrochloride
CID 86775561
4,4-Difluoropiperidine-2-carboxylic acid hydrochloride
CID 137468597
Difluoromethyllysine
CID 54369682
4,4-Difluoropiperidine-2-carboxylic acid
CID 75088982
3-(Trifluoromethyl)piperidine-2-carboxylic acid
CID 90425102

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride (CID 154577224) is (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CCC[C@H](C(F)(F)F)N1.
What is the InChIKey of (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
The InChIKey is FGEUCSHPBYRDIN-UYXJWNHNSA-N. The full InChI is InChI=1S/C7H10F3NO2.ClH/c8-7(9,10)5-3-1-2-4(11-5)6(12)13;/h4-5,11H,1-3H2,(H,12,13);1H/t4-,5+;/m0./s1.
What are the key properties of (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride?
(2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride has a molecular weight of 233.62 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-6-(trifluoromethyl)piperidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 154577224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).