2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C13H21F3N2O3 — CID 79262224

IUPAC2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCC1(C(=O)N(CC(=O)O)CC(F)(F)F)CCNCC1
InChIInChI=1S/C13H21F3N2O3/c1-2-3-12(4-6-17-7-5-12)11(21)18(8-10(19)20)9-13(14,15)16/h17H,2-9H2,1H3,(H,19,20)
InChIKeyUSUTWNGHZSXKPO-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.63
Rot. Bonds6

About 2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79262224) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79262224
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCC1(C(=O)N(CC(=O)O)CC(F)(F)F)CCNCC1
InChIInChI=1S/C13H21F3N2O3/c1-2-3-12(4-6-17-7-5-12)11(21)18(8-10(19)20)9-13(14,15)16/h17H,2-9H2,1H3,(H,19,20)
InChIKeyUSUTWNGHZSXKPO-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79262224) is 2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCCC1(C(=O)N(CC(=O)O)CC(F)(F)F)CCNCC1.
What is the InChIKey of 2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is USUTWNGHZSXKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-2-3-12(4-6-17-7-5-12)11(21)18(8-10(19)20)9-13(14,15)16/h17H,2-9H2,1H3,(H,19,20).
What are the key properties of 2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 310.32 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79262224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).