ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate

C15H20FNO2 — CID 171400750

IUPACethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-3-19-15(18)13-8-9-17(2)10-14(13)11-4-6-12(16)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3/t13?,14-/m0/s1
InChIKeyYLANPPQIKRZZFV-KZUDCZAMSA-N
MW265.33 g/mol
LogP2.42
Rot. Bonds3

About ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate

ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate (PubChem CID 171400750) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate
PubChem CID171400750
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C15H20FNO2/c1-3-19-15(18)13-8-9-17(2)10-14(13)11-4-6-12(16)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3/t13?,14-/m0/s1
InChIKeyYLANPPQIKRZZFV-KZUDCZAMSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
CID 10978362
ethyl (3S)-1-methyl-3-(trifluoromethyl)piperidine-4-carboxylate
CID 163219476
ethyl 4-(4-fluorophenyl)-1-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 3732923
ethyl 4-(4-bromo-3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 59454260
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
CID 163219557
ethyl 3-(3,4-difluorophenyl)-1-[(2-methylpropan-2-yl)oxymethyl]piperidine-4-carboxylate
CID 90795494
ethyl 4-(2,6-difluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 134162418
1-O-tert-butyl 4-O-ethyl (3S,4R)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]piperidine-1,4-dicarboxylate
CID 170286654
ethyl 4-(4-bromophenyl)-1-(2-fluoroethyl)pyrrolidine-3-carboxylate
CID 59454193
ethyl (3R,4R)-1-[2-(2,4-dioxo-1H-quinazolin-3-yl)ethyl]-4-(4-fluorophenyl)piperidine-3-carboxylate
CID 118857807
ethyl 1-acetyl-4-(4-aminophenyl)pyrrolidine-3-carboxylate
CID 54057222
ethyl 5-(4-fluorophenyl)-5-hydroxy-1-methylazepane-4-carboxylate
CID 71216496

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate?
The IUPAC name of ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate (CID 171400750) is ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate?
The canonical SMILES for ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate is CCOC(=O)C1CCN(C)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate?
The InChIKey is YLANPPQIKRZZFV-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-19-15(18)13-8-9-17(2)10-14(13)11-4-6-12(16)7-5-11/h4-7,13-14H,3,8-10H2,1-2H3/t13?,14-/m0/s1.
What are the key properties of ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate?
ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 171400750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).