tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate

C24H28FNO2 — CID 138979317

IUPACtert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(F)=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H28FNO2/c1-24(2,3)28-23(27)26-16-14-20(15-17-26)22(25)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3
InChIKeyAIGCFZGIBKKTKY-UHFFFAOYSA-N
MW381.49 g/mol
LogP6.06
Rot. Bonds3

About tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate

tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate (PubChem CID 138979317) has the molecular formula C24H28FNO2 and a molecular weight of 381.49 g/mol. Its IUPAC name is tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate
PubChem CID138979317
Molecular FormulaC24H28FNO2
Molecular Weight381.49 g/mol
Exact Mass381.21
IUPAC Nametert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(F)=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H28FNO2/c1-24(2,3)28-23(27)26-16-14-20(15-17-26)22(25)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3
InChIKeyAIGCFZGIBKKTKY-UHFFFAOYSA-N
XLogP6.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.49
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880
Ethyl 4-(3-phenylpropyl)piperazine-1-carboxylate
CID 783518
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
Tert-butyl 4-phenylpiperidine-1-carboxylate
CID 10015811
Ethyl 4-[3-(3-fluorophenyl)prop-2-ynylidene]piperidine-1-carboxylate
CID 155537411
Ethyl 4-(2,2-diphenylethyl)-1-piperazinecarboxylate
CID 783574
Tert-butyl 4-(aminomethyl)-4-(3-fluorophenyl)piperidine-1-carboxylate
CID 23601101
tert-Butyl 4-(aminomethyl)-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 49760833
Tert-butyl 4-(aminomethyl)-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 59321362
tert-Butyl 4-(aminomethyl)-4-(4-fluorobenzyl)piperidine-1-carboxylate
CID 69121570
Tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate
CID 10565452
tert-Butyl 3-benzyl-4-oxopiperidine-1-carboxylate
CID 44607713

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate (CID 138979317) is tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(F)=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate?
The InChIKey is AIGCFZGIBKKTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO2/c1-24(2,3)28-23(27)26-16-14-20(15-17-26)22(25)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3.
What are the key properties of tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate?
tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate has a molecular weight of 381.49 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-fluoro-2,2-diphenylethenyl)piperidine-1-carboxylate is sourced from PubChem (CID 138979317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).