ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate

C20H23FN2O2 — CID 42851824

IUPACethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O2/c1-2-25-20(24)19-5-3-4-10-23(19)14-15-11-17(13-22-12-15)16-6-8-18(21)9-7-16/h6-9,11-13,19H,2-5,10,14H2,1H3
InChIKeyAOAUTIWKVZTQDA-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.81
Rot. Bonds5

About ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate

ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate (PubChem CID 42851824) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate
PubChem CID42851824
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Nameethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cncc(-c2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O2/c1-2-25-20(24)19-5-3-4-10-23(19)14-15-11-17(13-22-12-15)16-6-8-18(21)9-7-16/h6-9,11-13,19H,2-5,10,14H2,1H3
InChIKeyAOAUTIWKVZTQDA-UHFFFAOYSA-N
XLogP3.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(5-bromo-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 113222665
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373
ethyl (2R)-1-[(2,4-difluorophenyl)methyl]piperidine-2-carboxylate
CID 763684
ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate
CID 6938215
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl (3S)-1-[[5-(4-fluoro-3-methylphenyl)-3-pyridinyl]methyl]piperidine-3-carboxylate
CID 92984931
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2837990
ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481
ethyl 1-[(6-hydrazinyl-3-pyridinyl)methyl]piperidine-2-carboxylate
CID 62245302
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxylate
CID 115538699
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate (CID 42851824) is ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1cncc(-c2ccc(F)cc2)c1.
What is the InChIKey of ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate?
The InChIKey is AOAUTIWKVZTQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-2-25-20(24)19-5-3-4-10-23(19)14-15-11-17(13-22-12-15)16-6-8-18(21)9-7-16/h6-9,11-13,19H,2-5,10,14H2,1H3.
What are the key properties of ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate?
ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate has a molecular weight of 342.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 42851824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).