tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate

C19H26FNO2 — CID 76625784

IUPACtert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC=Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO2/c1-19(2,3)23-18(22)21-13-11-16(12-14-21)6-4-5-15-7-9-17(20)10-8-15/h4-5,7-10,16H,6,11-14H2,1-3H3
InChIKeyJMTPCUNLWACHBY-UHFFFAOYSA-N
MW319.42 g/mol
LogP4.88
Rot. Bonds3

About tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate

tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate (PubChem CID 76625784) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate
PubChem CID76625784
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Nametert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC=Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FNO2/c1-19(2,3)23-18(22)21-13-11-16(12-14-21)6-4-5-15-7-9-17(20)10-8-15/h4-5,7-10,16H,6,11-14H2,1-3H3
InChIKeyJMTPCUNLWACHBY-UHFFFAOYSA-N
XLogP4.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-(3-pyridin-4-ylprop-2-enyl)piperidine-1-carboxylate
CID 66673725
tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 68715497
tert-butyl 4-[(2S)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926592
tert-butyl 4-[(2R)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926593
tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
CID 58808104
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868532
tert-butyl 4-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 2810466
tert-butyl 4-[2-(4-fluorophenyl)sulfonylethyl]piperidine-1-carboxylate
CID 18374764
tert-butyl 4-[(3R)-3-(4-fluorophenyl)-3-hydroxypropyl]piperidine-1-carboxylate
CID 139510208
tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 18374698
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 86852948

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate (CID 76625784) is tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC=Cc2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate?
The InChIKey is JMTPCUNLWACHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-19(2,3)23-18(22)21-13-11-16(12-14-21)6-4-5-15-7-9-17(20)10-8-15/h4-5,7-10,16H,6,11-14H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate?
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate has a molecular weight of 319.42 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(4-fluorophenyl)prop-2-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 76625784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).