methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate

C15H20FNO2 — CID 17221672

IUPACmethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FNO2/c1-19-15(18)10-12-6-8-17(9-7-12)11-13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3
InChIKeyMCYMLVGEGRTIIW-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate

methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate (PubChem CID 17221672) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
PubChem CID17221672
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Namemethyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FNO2/c1-19-15(18)10-12-6-8-17(9-7-12)11-13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3
InChIKeyMCYMLVGEGRTIIW-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate
CID 16767490
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
CID 83983286
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 78582440
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate
CID 83986142
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
1-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-methoxyphenyl)urea
CID 22430447
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate (CID 17221672) is methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate?
The InChIKey is MCYMLVGEGRTIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-15(18)10-12-6-8-17(9-7-12)11-13-2-4-14(16)5-3-13/h2-5,12H,6-11H2,1H3.
What are the key properties of methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate?
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate has a molecular weight of 265.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 17221672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).