propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate

C22H26N2O2 — CID 3238233

IUPACpropan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H26N2O2/c1-16(2)26-21(25)15-23-11-13-24(14-12-23)22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h3-10,16,22H,11-15H2,1-2H3
InChIKeyLNWUPBXWYOANKB-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.33
Rot. Bonds4

About propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate

propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate (PubChem CID 3238233) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate
PubChem CID3238233
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Namepropan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H26N2O2/c1-16(2)26-21(25)15-23-11-13-24(14-12-23)22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h3-10,16,22H,11-15H2,1-2H3
InChIKeyLNWUPBXWYOANKB-UHFFFAOYSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-Phenyl-indan-1-yl)-piperazin-1-yl]-ethanol
CID 15115475
1-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 3315507
Methyl 2-(4-benzhydrylpiperazin-1-yl)acetate
CID 789874
1-Piperazineacetic acid, 4-(diphenylmethyl)-, ethyl ester
CID 3045046
2-(2-(4-(9H-Fluoren-9-yl)piperazin-1-yl)-2-oxoethoxy)acetic acid
CID 2814974
4-(9H-fluoren-9-yl)morpholine
CID 224093
ethyl 4-(9H-fluoren-9-yl)piperazine-1-carboxylate
CID 2746154
N-(2,3-Dihydro-1H-inden-1-yl)-N-methyl-2-(morpholin-4-yl)acetamide
CID 110872
1-Indanamine, N-(2-morpholinoacetyl)-2-phenyl-, hydrochloride
CID 115637
ethyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate
CID 51076007
methyl 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetate
CID 56811071
ethyl 1-(9H-fluoren-9-yl)piperidine-4-carboxylate
CID 2459261

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate (CID 3238233) is propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate is CC(C)OC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate?
The InChIKey is LNWUPBXWYOANKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(2)26-21(25)15-23-11-13-24(14-12-23)22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h3-10,16,22H,11-15H2,1-2H3.
What are the key properties of propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate?
propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate has a molecular weight of 350.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(9H-fluoren-9-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 3238233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).