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

C14H23F3N2O2 — CID 83992590

IUPAC1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)(F)F)CN(CC2CCCC2)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)9-18-12-5-11(13(20)21)7-19(8-12)6-10-3-1-2-4-10/h10-12,18H,1-9H2,(H,20,21)
InChIKeyREZHGXLJHGNRKJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.10
Rot. Bonds5

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

1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (PubChem CID 83992590) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
PubChem CID83992590
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
SMILESO=C(O)C1CC(NCC(F)(F)F)CN(CC2CCCC2)C1
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)9-18-12-5-11(13(20)21)7-19(8-12)6-10-3-1-2-4-10/h10-12,18H,1-9H2,(H,20,21)
InChIKeyREZHGXLJHGNRKJ-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid (CID 83992590) is 1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is O=C(O)C1CC(NCC(F)(F)F)CN(CC2CCCC2)C1.
What is the InChIKey of 1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
The InChIKey is REZHGXLJHGNRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)9-18-12-5-11(13(20)21)7-19(8-12)6-10-3-1-2-4-10/h10-12,18H,1-9H2,(H,20,21).
What are the key properties of 1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid?
1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83992590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).