[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone

C10H16F3N3O2 — CID 112737658

IUPAC[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone
SMILESO=C(C1CNCCN1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)9(18)1-4-16(6-9)8(17)7-5-14-2-3-15-7/h7,14-15,18H,1-6H2
InChIKeyVQMNNVQVLLJFLH-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.93
Rot. Bonds1

About [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone

[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone (PubChem CID 112737658) has the molecular formula C10H16F3N3O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone
PubChem CID112737658
Molecular FormulaC10H16F3N3O2
Molecular Weight267.25 g/mol
Exact Mass267.12
IUPAC Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone
SMILESO=C(C1CNCCN1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C10H16F3N3O2/c11-10(12,13)9(18)1-4-16(6-9)8(17)7-5-14-2-3-15-7/h7,14-15,18H,1-6H2
InChIKeyVQMNNVQVLLJFLH-UHFFFAOYSA-N
XLogP-0.93
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone (CID 112737658) is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone is O=C(C1CNCCN1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone?
The InChIKey is VQMNNVQVLLJFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O2/c11-10(12,13)9(18)1-4-16(6-9)8(17)7-5-14-2-3-15-7/h7,14-15,18H,1-6H2.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone?
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone has a molecular weight of 267.25 g/mol, XLogP of -0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone is sourced from PubChem (CID 112737658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).