tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate

C30H34BrNO4 — CID 149031195

IUPACtert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2ccc3c(c2)C(C)(C)C2=C(C3=O)c3ccc(Br)cc3C2)CC1
InChIInChI=1S/C30H34BrNO4/c1-29(2,3)36-28(34)32-12-10-18(11-13-32)17-35-21-7-9-23-24(16-21)30(4,5)25-15-19-14-20(31)6-8-22(19)26(25)27(23)33/h6-9,14,16,18H,10-13,15,17H2,1-5H3
InChIKeyQFLWJNSETAGLDJ-UHFFFAOYSA-N
MW552.51 g/mol
LogP6.96
Rot. Bonds3

About tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate (PubChem CID 149031195) has the molecular formula C30H34BrNO4 and a molecular weight of 552.51 g/mol. Its IUPAC name is tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate
PubChem CID149031195
Molecular FormulaC30H34BrNO4
Molecular Weight552.51 g/mol
Exact Mass551.17
IUPAC Nametert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COc2ccc3c(c2)C(C)(C)C2=C(C3=O)c3ccc(Br)cc3C2)CC1
InChIInChI=1S/C30H34BrNO4/c1-29(2,3)36-28(34)32-12-10-18(11-13-32)17-35-21-7-9-23-24(16-21)30(4,5)25-15-19-14-20(31)6-8-22(19)26(25)27(23)33/h6-9,14,16,18H,10-13,15,17H2,1-5H3
InChIKeyQFLWJNSETAGLDJ-UHFFFAOYSA-N
XLogP6.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.51
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-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

tert-butyl 4-[(4-bromo-2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 118053135
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]phthalic acid
CID 134579774
tert-butyl 4-[(4-amino-3-fluorophenoxy)methyl]piperidine-1-carboxylate
CID 164576765
tert-butyl 4-[(3-hydroxyphenoxy)methyl]piperidine-1-carboxylate
CID 59526855
tert-butyl 4-[[3-fluoro-4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 24994032
2-bromo-10,10-dimethyl-8-[(3R)-oxolan-3-yl]oxy-11H-benzo[b]fluoren-5-one
CID 157413658
2-chloro-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 175684084
2-methoxy-4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]benzoic acid
CID 22914678
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148
tert-butyl 7-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 11248636
tert-butyl 4-[(3-amino-1,2,4-benzotriazin-6-yl)oxymethyl]piperidine-1-carboxylate
CID 69318255
tert-butyl 4-[[1-(4-bromophenyl)piperidin-4-yl]methoxymethyl]piperidine-1-carboxylate
CID 162741845

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate (CID 149031195) is tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(COc2ccc3c(c2)C(C)(C)C2=C(C3=O)c3ccc(Br)cc3C2)CC1.
What is the InChIKey of tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate?
The InChIKey is QFLWJNSETAGLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34BrNO4/c1-29(2,3)36-28(34)32-12-10-18(11-13-32)17-35-21-7-9-23-24(16-21)30(4,5)25-15-19-14-20(31)6-8-22(19)26(25)27(23)33/h6-9,14,16,18H,10-13,15,17H2,1-5H3.
What are the key properties of tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate has a molecular weight of 552.51 g/mol, XLogP of 6.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-bromo-10,10-dimethyl-5-oxo-11H-benzo[b]fluoren-8-yl)oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 149031195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).