methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate

C13H15ClFNO2 — CID 66731613

IUPACmethyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C13H15ClFNO2/c1-18-13(17)8-4-5-16-12(6-8)10-3-2-9(15)7-11(10)14/h2-3,7-8,12,16H,4-6H2,1H3
InChIKeyOQOMFZUMPHQSBW-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.69
Rot. Bonds2

About methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate

methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate (PubChem CID 66731613) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate
PubChem CID66731613
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C13H15ClFNO2/c1-18-13(17)8-4-5-16-12(6-8)10-3-2-9(15)7-11(10)14/h2-3,7-8,12,16H,4-6H2,1H3
InChIKeyOQOMFZUMPHQSBW-UHFFFAOYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-methyl 2-(2-chlorophenyl)-2-((R)-piperidin-2-yl)acetate
CID 44423317
methyl (2R)-2-(2-chlorophenyl)-2-[(2R)-piperidin-2-yl]acetate;hydrochloride
CID 45263495
methyl (2S)-2-(2-chlorophenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45264099
methyl (2S)-2-(2-chlorophenyl)-2-piperidin-2-ylacetate;hydrochloride
CID 45264069
Ethyl 4-[(2-chlorophenyl)methyl]piperidine-4-carboxylate
CID 56746077
methyl (2R)-2-[(S)-acetamido-(4-chloro-2-fluorophenyl)methyl]tridecanoate
CID 139125550
Ethyl 4-acetamido-4-(4-chlorophenyl)-2,2-difluorobutanoate
CID 162415539
ethyl (4R)-4-acetamido-4-(4-chlorophenyl)-2,2-difluorobutanoate
CID 162415543
methyl (2S,3R)-2-(2,6-dichlorophenyl)pyrrolidine-3-carboxylate
CID 6485996
Ethyl 3-(2-chlorophenyl)-3-{[3-(trifluoromethyl)benzyl]amino}propanoate
CID 4036782
Propionic acid, 3-(2-chlorophenyl)-3-(2,6-difluorobenzylamino)-, ethyl ester
CID 4347202
Ethyl 2-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 53428929

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate?
The IUPAC name of methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate (CID 66731613) is methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate is COC(=O)C1CCNC(c2ccc(F)cc2Cl)C1.
What is the InChIKey of methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate?
The InChIKey is OQOMFZUMPHQSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c1-18-13(17)8-4-5-16-12(6-8)10-3-2-9(15)7-11(10)14/h2-3,7-8,12,16H,4-6H2,1H3.
What are the key properties of methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate?
methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate has a molecular weight of 271.72 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate is sourced from PubChem (CID 66731613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).