propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate

C22H23F3N2O3 — CID 59493107

IUPACpropan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
SMILESCC(C)OC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C22H23F3N2O3/c1-14(2)30-20(28)27-11-9-26(10-12-27)15-7-8-17-16-5-3-4-6-18(16)21(29,19(17)13-15)22(23,24)25/h3-8,13-14,29H,9-12H2,1-2H3
InChIKeyOXKLOXKYKSQJDQ-UHFFFAOYSA-N
MW420.43 g/mol
LogP4.13
Rot. Bonds2

About propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate

propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate (PubChem CID 59493107) has the molecular formula C22H23F3N2O3 and a molecular weight of 420.43 g/mol. Its IUPAC name is propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
PubChem CID59493107
Molecular FormulaC22H23F3N2O3
Molecular Weight420.43 g/mol
Exact Mass420.17
IUPAC Namepropan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
SMILESCC(C)OC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1
InChIInChI=1S/C22H23F3N2O3/c1-14(2)30-20(28)27-11-9-26(10-12-27)15-7-8-17-16-5-3-4-6-18(16)21(29,19(17)13-15)22(23,24)25/h3-8,13-14,29H,9-12H2,1-2H3
InChIKeyOXKLOXKYKSQJDQ-UHFFFAOYSA-N
XLogP4.13
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

2-Diethylamino-9-fluorenol
CID 224125
1-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]pyrrolidin-2-one
CID 59492795
Tert-butyl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate
CID 59492520
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 59492640
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]ethanone
CID 59492766
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]propan-1-one
CID 59493091
1-[4-[9-Hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 59493106
1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]-N-methylpiperidine-4-carboxamide
CID 59492480
2-Morpholin-4-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492506
2-Piperazin-1-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492534
2-Pyrrolidin-1-yl-9-(trifluoromethyl)fluoren-9-ol
CID 59492541
2-(2-Methylpyrrolidin-1-yl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492618

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate (CID 59493107) is propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate is CC(C)OC(=O)N1CCN(c2ccc3c(c2)C(O)(C(F)(F)F)c2ccccc2-3)CC1.
What is the InChIKey of propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
The InChIKey is OXKLOXKYKSQJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O3/c1-14(2)30-20(28)27-11-9-26(10-12-27)15-7-8-17-16-5-3-4-6-18(16)21(29,19(17)13-15)22(23,24)25/h3-8,13-14,29H,9-12H2,1-2H3.
What are the key properties of propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate?
propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate has a molecular weight of 420.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 59493107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).