methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate

C15H19F2NO2 — CID 78969714

IUPACmethyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO2/c1-20-15(19)9-12-4-2-3-7-18(12)10-11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3
InChIKeyWEBZNMFTGMAYAH-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.88
Rot. Bonds4

About methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate

methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate (PubChem CID 78969714) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
PubChem CID78969714
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namemethyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H19F2NO2/c1-20-15(19)9-12-4-2-3-7-18(12)10-11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3
InChIKeyWEBZNMFTGMAYAH-UHFFFAOYSA-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

methyl 2-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]acetate
CID 62028859
methyl 2-[1-[(3,5-dimethylphenyl)methyl]piperidin-2-yl]acetate
CID 62026011
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
methyl 2-[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-2-yl]acetate
CID 106270339
methyl 2-[1-[(3,4-difluorophenyl)methyl]-5-oxopyrrolidin-2-yl]acetate
CID 175838120
2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 107880904
N-[[1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 82919278
[1-[(4-fluoro-3-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 74233978
methyl 2-[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 65327147
N-[[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 62580393
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-methylacetamide
CID 18933418
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate (CID 78969714) is methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate is COC(=O)CC1CCCCN1Cc1ccc(F)c(F)c1.
What is the InChIKey of methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate?
The InChIKey is WEBZNMFTGMAYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-20-15(19)9-12-4-2-3-7-18(12)10-11-5-6-13(16)14(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3.
What are the key properties of methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate?
methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate 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 methyl 2-[1-[(3,4-difluorophenyl)methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 78969714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).