ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate

C20H24FNO3 — CID 146183475

IUPACethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OF)ccc3c2)CC1C
InChIInChI=1S/C20H24FNO3/c1-3-24-20(23)19-8-9-22(12-14(19)2)13-15-4-5-17-11-18(25-21)7-6-16(17)10-15/h4-7,10-11,14,19H,3,8-9,12-13H2,1-2H3
InChIKeyZNQSKBFQWFPJOR-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.12
Rot. Bonds5

About ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate

ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate (PubChem CID 146183475) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate
PubChem CID146183475
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Nameethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccc3cc(OF)ccc3c2)CC1C
InChIInChI=1S/C20H24FNO3/c1-3-24-20(23)19-8-9-22(12-14(19)2)13-15-4-5-17-11-18(25-21)7-6-16(17)10-15/h4-7,10-11,14,19H,3,8-9,12-13H2,1-2H3
InChIKeyZNQSKBFQWFPJOR-UHFFFAOYSA-N
XLogP4.12
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[[6-(4-methylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 118347020
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
[6-[(4-ethoxycarbonylpiperidin-1-yl)methyl]naphthalen-2-yl]oxidanium
CID 140661185
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 165176370
ethyl (3R)-1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-3-carboxylate
CID 66926766
ethyl (3S,4S)-3-amino-1-benzylpiperidine-4-carboxylate;dihydrochloride
CID 155921053
ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
CID 146401947
ethyl 1-[[6-(2-bicyclo[2.2.1]heptanyloxy)naphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 146183495
ethyl 1-[[6-(5-methyl-2-propan-2-ylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 77466388
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpiperidine-4-carboxylic acid
CID 114278671
1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylic acid;ethyl 1-[[6-(4,4-dimethylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-4-carboxylate
CID 158328113
1-[(6-fluorooxynaphthalen-2-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 146646538

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate (CID 146183475) is ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccc3cc(OF)ccc3c2)CC1C.
What is the InChIKey of ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate?
The InChIKey is ZNQSKBFQWFPJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-3-24-20(23)19-8-9-22(12-14(19)2)13-15-4-5-17-11-18(25-21)7-6-16(17)10-15/h4-7,10-11,14,19H,3,8-9,12-13H2,1-2H3.
What are the key properties of ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate?
ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate has a molecular weight of 345.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(6-fluorooxynaphthalen-2-yl)methyl]-3-methylpiperidine-4-carboxylate is sourced from PubChem (CID 146183475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).