ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate

C15H20FNO3 — CID 82537653

IUPACethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C15H20FNO3/c1-3-20-15(18)11-5-4-8-17(10-11)12-6-7-14(19-2)13(16)9-12/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyWMGSKOZFZIWOTE-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.61
Rot. Bonds4

About ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate

ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate (PubChem CID 82537653) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate
PubChem CID82537653
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nameethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C15H20FNO3/c1-3-20-15(18)11-5-4-8-17(10-11)12-6-7-14(19-2)13(16)9-12/h6-7,9,11H,3-5,8,10H2,1-2H3
InChIKeyWMGSKOZFZIWOTE-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
ethyl (3S)-1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 59410086
ethyl 1-(4-acetylphenyl)piperidine-3-carboxylate
CID 43176930
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
ethyl 1-(2,3,4-trifluorophenyl)piperidine-3-carboxylate
CID 82537647
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
5-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 95054136
5-[(3S)-3-ethoxycarbonylpiperidin-1-yl]-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 95054137
ethyl 1-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]piperidine-3-carboxylate
CID 42808596
ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate
CID 83972224

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate (CID 82537653) is ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ccc(OC)c(F)c2)C1.
What is the InChIKey of ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate?
The InChIKey is WMGSKOZFZIWOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-20-15(18)11-5-4-8-17(10-11)12-6-7-14(19-2)13(16)9-12/h6-7,9,11H,3-5,8,10H2,1-2H3.
What are the key properties of ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate?
ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate is sourced from PubChem (CID 82537653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).