ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate

C15H19F2NO2 — CID 6938215

IUPACethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO2/c1-2-20-15(19)14-5-3-4-8-18(14)10-11-9-12(16)6-7-13(11)17/h6-7,9,14H,2-5,8,10H2,1H3/t14-/m1/s1
InChIKeyDPTQNCZMSPOZIW-CQSZACIVSA-N
MW283.32 g/mol
LogP2.88
Rot. Bonds4

About ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate

ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate (PubChem CID 6938215) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate
PubChem CID6938215
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO2/c1-2-20-15(19)14-5-3-4-8-18(14)10-11-9-12(16)6-7-13(11)17/h6-7,9,14H,2-5,8,10H2,1H3/t14-/m1/s1
InChIKeyDPTQNCZMSPOZIW-CQSZACIVSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-1-[(2,4-difluorophenyl)methyl]piperidine-2-carboxylate
CID 763684
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxylate
CID 115538699
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl 1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 62013058
ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate
CID 2838370
ethyl 1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidine-2-carboxylate
CID 2845776
1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114055337
ethyl 1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidine-2-carboxylate
CID 42851824

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate (CID 6938215) is ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate is CCOC(=O)[C@H]1CCCCN1Cc1cc(F)ccc1F.
What is the InChIKey of ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate?
The InChIKey is DPTQNCZMSPOZIW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-20-15(19)14-5-3-4-8-18(14)10-11-9-12(16)6-7-13(11)17/h6-7,9,14H,2-5,8,10H2,1H3/t14-/m1/s1.
What are the key properties of ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate?
ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate has a molecular weight of 283.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 6938215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).