methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate

C13H16FNO2 — CID 96581577

IUPACmethyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNC[C@@H](c2ccccc2F)C1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)10-6-9(7-15-8-10)11-4-2-3-5-12(11)14/h2-5,9-10,15H,6-8H2,1H3/t9-,10+/m0/s1
InChIKeyQEDPVCJMKKKJPN-VHSXEESVSA-N
MW237.27 g/mol
LogP1.69
Rot. Bonds2

About methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate

methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate (PubChem CID 96581577) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate
PubChem CID96581577
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNC[C@@H](c2ccccc2F)C1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)10-6-9(7-15-8-10)11-4-2-3-5-12(11)14/h2-5,9-10,15H,6-8H2,1H3/t9-,10+/m0/s1
InChIKeyQEDPVCJMKKKJPN-VHSXEESVSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R,5R)-5-[2-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 99942672
methyl (3R,5R)-5-(2-methoxyphenyl)piperidine-3-carboxylate
CID 99942730
methyl (3S,5S)-5-(2-methoxyphenyl)piperidine-3-carboxylate
CID 99942732
methyl 5-phenylpiperidine-3-carboxylate;hydrochloride
CID 91798805
methyl (3S,5R)-5-[3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 97053978
methyl 2-(2-fluorophenyl)piperidine-4-carboxylate
CID 105498960
dimethyl (3R,5R)-piperidine-3,5-dicarboxylate
CID 69137212
methyl (3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]piperidine-3-carboxylate
CID 155905301
methyl (3R,5R)-5-(3-methoxyphenyl)piperidine-3-carboxylate
CID 99942655
methyl 5-(3,5-dimethoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798796
[3-[5-(2-fluorophenyl)piperidin-3-yl]oxyphenyl]methylcarbamic acid
CID 166793978
methyl (3R)-5-methylpiperidine-3-carboxylate
CID 178133263

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate (CID 96581577) is methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate is COC(=O)[C@H]1CNC[C@@H](c2ccccc2F)C1.
What is the InChIKey of methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate?
The InChIKey is QEDPVCJMKKKJPN-VHSXEESVSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-13(16)10-6-9(7-15-8-10)11-4-2-3-5-12(11)14/h2-5,9-10,15H,6-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate?
methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate is sourced from PubChem (CID 96581577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).