4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid

C9H15F3N2O2 — CID 66728494

IUPAC4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-5-7-1-3-14(4-2-7)8(15)16/h7,13H,1-6H2,(H,15,16)
InChIKeyCKTMVFIQKBRHCZ-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.53
Rot. Bonds3

About 4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid

4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 66728494) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid
PubChem CID66728494
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-5-7-1-3-14(4-2-7)8(15)16/h7,13H,1-6H2,(H,15,16)
InChIKeyCKTMVFIQKBRHCZ-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid (CID 66728494) is 4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CNCC(F)(F)F)CC1.
What is the InChIKey of 4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is CKTMVFIQKBRHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-5-7-1-3-14(4-2-7)8(15)16/h7,13H,1-6H2,(H,15,16).
What are the key properties of 4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid?
4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 66728494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).