[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride

C11H20ClF3N2O2 — CID 166063089

IUPAC[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride
SMILESC[C@H](N)C(=O)OCC1CCN(CC(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-8(15)10(17)18-6-9-2-4-16(5-3-9)7-11(12,13)14;/h8-9H,2-7,15H2,1H3;1H/t8-;/m0./s1
InChIKeyXOUIDYLLGMLLSO-QRPNPIFTSA-N
MW304.74 g/mol
LogP1.57
Rot. Bonds4

About [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride

[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride (PubChem CID 166063089) has the molecular formula C11H20ClF3N2O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride
PubChem CID166063089
Molecular FormulaC11H20ClF3N2O2
Molecular Weight304.74 g/mol
Exact Mass304.12
IUPAC Name[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride
SMILESC[C@H](N)C(=O)OCC1CCN(CC(F)(F)F)CC1.Cl
InChIInChI=1S/C11H19F3N2O2.ClH/c1-8(15)10(17)18-6-9-2-4-16(5-3-9)7-11(12,13)14;/h8-9H,2-7,15H2,1H3;1H/t8-;/m0./s1
InChIKeyXOUIDYLLGMLLSO-QRPNPIFTSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride?
The IUPAC name of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride (CID 166063089) is [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride is C[C@H](N)C(=O)OCC1CCN(CC(F)(F)F)CC1.Cl.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride?
The InChIKey is XOUIDYLLGMLLSO-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H19F3N2O2.ClH/c1-8(15)10(17)18-6-9-2-4-16(5-3-9)7-11(12,13)14;/h8-9H,2-7,15H2,1H3;1H/t8-;/m0./s1.
What are the key properties of [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride?
[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride has a molecular weight of 304.74 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate;hydrochloride is sourced from PubChem (CID 166063089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).