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

C15H20FNO3 — CID 19095587

IUPACethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2cccc(F)c2)C(C)C1
InChIInChI=1S/C15H20FNO3/c1-3-20-14(18)17-8-7-15(19,11(2)10-17)12-5-4-6-13(16)9-12/h4-6,9,11,19H,3,7-8,10H2,1-2H3
InChIKeyDNDBAVMYPBTBEL-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.51
Rot. Bonds2

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

ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate (PubChem CID 19095587) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate
PubChem CID19095587
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nameethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2cccc(F)c2)C(C)C1
InChIInChI=1S/C15H20FNO3/c1-3-20-14(18)17-8-7-15(19,11(2)10-17)12-5-4-6-13(16)9-12/h4-6,9,11,19H,3,7-8,10H2,1-2H3
InChIKeyDNDBAVMYPBTBEL-UHFFFAOYSA-N
XLogP2.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-phenylpiperidin-4-ol
CID 78670
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
1-Ethyl-2,5-dimethyl-4-phenyl-4-piperidinol
CID 3104851
Ethyl 4-hydroxy-4-(2,4,5-trimethylphenyl)piperidine-1-carboxylate
CID 3243816
1-[4-(3-Fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 1446465
Cyclobutyl-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 1446508
alpha-Ethyl-alpha-phenyl-1-piperidinepropanol
CID 566573
Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 736490
rac-benzyl (2R,4R)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 10586714
tert-butyl N-(2-hydroxy-2-phenylethyl)-N-methylcarbamate
CID 12610931
1,1-Dimethylethyl 3-(3,4-difluorophenyl)-3-hydroxy-1-azetidinecarboxylate
CID 65918807
1-[4-Hydroxy-4-(3-trifluoromethyl-phenyl)-piperidin-1-yl]-ethanone
CID 645006

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate (CID 19095587) is ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate is CCOC(=O)N1CCC(O)(c2cccc(F)c2)C(C)C1.
What is the InChIKey of ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate?
The InChIKey is DNDBAVMYPBTBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-20-14(18)17-8-7-15(19,11(2)10-17)12-5-4-6-13(16)9-12/h4-6,9,11,19H,3,7-8,10H2,1-2H3.
What are the key properties of ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate?
ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-fluorophenyl)-4-hydroxy-3-methylpiperidine-1-carboxylate is sourced from PubChem (CID 19095587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).