ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate

C14H18FNO2 — CID 83855538

IUPACethyl 2-(3-fluorophenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCNC1c1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c1-2-18-14(17)12-7-4-8-16-13(12)10-5-3-6-11(15)9-10/h3,5-6,9,12-13,16H,2,4,7-8H2,1H3
InChIKeyXHSZQTVQMIEYTF-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.43
Rot. Bonds3

About ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate

ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate (PubChem CID 83855538) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-fluorophenyl)piperidine-3-carboxylate
PubChem CID83855538
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-(3-fluorophenyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCNC1c1cccc(F)c1
InChIInChI=1S/C14H18FNO2/c1-2-18-14(17)12-7-4-8-16-13(12)10-5-3-6-11(15)9-10/h3,5-6,9,12-13,16H,2,4,7-8H2,1H3
InChIKeyXHSZQTVQMIEYTF-UHFFFAOYSA-N
XLogP2.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R,3R)-2-(3-chlorophenyl)pyrrolidine-3-carboxylate
CID 129452952
ethyl (2S,3R)-2-phenylpyrrolidine-3-carboxylate
CID 96575888
1-O-ethyl 2-O-(3-fluorophenyl) cyclohexane-1,2-dicarboxylate
CID 91727998
ethyl (2R,5S)-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
CID 131887910
methyl 2-(3-fluorophenyl)azetidine-3-carboxylate
CID 105462663
ethyl (2R,3S)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate;ethyl (2S,3R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]piperidine-3-carboxylate
CID 154809531
3-ethyl-2-(3-fluorophenyl)pyrrolidine
CID 3903134
2-(3-cyclobutylphenyl)piperidine-3-carboxamide
CID 114606016
ethyl (4R,5S,6S)-6-(3-fluorophenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
CID 7161010
ethyl 2-propan-2-ylpiperidine-3-carboxylate
CID 83855212
ethyl (2R,3S)-2-(trifluoromethyl)piperidine-3-carboxylate
CID 178202342
ethyl 2-(trifluoromethyl)piperidine-3-carboxylate
CID 167740176

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate (CID 83855538) is ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate is CCOC(=O)C1CCCNC1c1cccc(F)c1.
What is the InChIKey of ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate?
The InChIKey is XHSZQTVQMIEYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-2-18-14(17)12-7-4-8-16-13(12)10-5-3-6-11(15)9-10/h3,5-6,9,12-13,16H,2,4,7-8H2,1H3.
What are the key properties of ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate?
ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluorophenyl)piperidine-3-carboxylate is sourced from PubChem (CID 83855538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).