methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate

C15H20FNO3 — CID 60645154

IUPACmethyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FNO3/c1-19-15(18)12-6-8-17(9-7-12)10-11-20-14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeyOCIOXOJHSKHCNM-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.09
Rot. Bonds5

About methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate

methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate (PubChem CID 60645154) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
PubChem CID60645154
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FNO3/c1-19-15(18)12-6-8-17(9-7-12)10-11-20-14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3
InChIKeyOCIOXOJHSKHCNM-UHFFFAOYSA-N
XLogP2.09
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 134055069
1-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046330
methyl 1-(2-naphthalen-2-yloxyethyl)piperidine-4-carboxylate
CID 10380866
N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 55838287
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
methyl 1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylate
CID 113224746
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
3-amino-N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]butanamide
CID 119891321
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
1-[1-[2-(4-bromophenoxy)ethyl]piperidin-4-yl]ethanone
CID 63844952
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate (CID 60645154) is methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate?
The InChIKey is OCIOXOJHSKHCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-19-15(18)12-6-8-17(9-7-12)10-11-20-14-4-2-13(16)3-5-14/h2-5,12H,6-11H2,1H3.
What are the key properties of methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate?
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 60645154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).