1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

C14H23F3N2O2 — CID 83992559

IUPAC1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESCCC(C1CC1)N1CC(NCC(F)(F)F)CC(C(=O)O)C1
InChIInChI=1S/C14H23F3N2O2/c1-2-12(9-3-4-9)19-6-10(13(20)21)5-11(7-19)18-8-14(15,16)17/h9-12,18H,2-8H2,1H3,(H,20,21)
InChIKeyQLROPRBBARVTGU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.10
Rot. Bonds6

About 1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid

1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83992559) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83992559
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESCCC(C1CC1)N1CC(NCC(F)(F)F)CC(C(=O)O)C1
InChIInChI=1S/C14H23F3N2O2/c1-2-12(9-3-4-9)19-6-10(13(20)21)5-11(7-19)18-8-14(15,16)17/h9-12,18H,2-8H2,1H3,(H,20,21)
InChIKeyQLROPRBBARVTGU-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (CID 83992559) is 1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is CCC(C1CC1)N1CC(NCC(F)(F)F)CC(C(=O)O)C1.
What is the InChIKey of 1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is QLROPRBBARVTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-2-12(9-3-4-9)19-6-10(13(20)21)5-11(7-19)18-8-14(15,16)17/h9-12,18H,2-8H2,1H3,(H,20,21).
What are the key properties of 1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83992559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).