4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid

C9H14F3N3O3 — CID 18449285

IUPAC4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESNCC1(NC(=O)C(F)(F)F)CCN(C(=O)O)CC1
InChIInChI=1S/C9H14F3N3O3/c10-9(11,12)6(16)14-8(5-13)1-3-15(4-2-8)7(17)18/h1-5,13H2,(H,14,16)(H,17,18)
InChIKeyUFQQXWHZCALBNH-UHFFFAOYSA-N
MW269.22 g/mol
LogP0.14
Rot. Bonds2

About 4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid

4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (PubChem CID 18449285) has the molecular formula C9H14F3N3O3 and a molecular weight of 269.22 g/mol. Its IUPAC name is 4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
PubChem CID18449285
Molecular FormulaC9H14F3N3O3
Molecular Weight269.22 g/mol
Exact Mass269.10
IUPAC Name4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESNCC1(NC(=O)C(F)(F)F)CCN(C(=O)O)CC1
InChIInChI=1S/C9H14F3N3O3/c10-9(11,12)6(16)14-8(5-13)1-3-15(4-2-8)7(17)18/h1-5,13H2,(H,14,16)(H,17,18)
InChIKeyUFQQXWHZCALBNH-UHFFFAOYSA-N
XLogP0.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (CID 18449285) is 4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is NCC1(NC(=O)C(F)(F)F)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The InChIKey is UFQQXWHZCALBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O3/c10-9(11,12)6(16)14-8(5-13)1-3-15(4-2-8)7(17)18/h1-5,13H2,(H,14,16)(H,17,18).
What are the key properties of 4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid has a molecular weight of 269.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 18449285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).