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

C15H21FN2O2 — CID 83983287

IUPACmethyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)C(N)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-20-15(19)14(17)12-6-8-18(9-7-12)10-11-2-4-13(16)5-3-11/h2-5,12,14H,6-10,17H2,1H3
InChIKeyXXBNEMOFAIYWEZ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.54
Rot. Bonds4

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

methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate (PubChem CID 83983287) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
PubChem CID83983287
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Namemethyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
SMILESCOC(=O)C(N)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-20-15(19)14(17)12-6-8-18(9-7-12)10-11-2-4-13(16)5-3-11/h2-5,12,14H,6-10,17H2,1H3
InChIKeyXXBNEMOFAIYWEZ-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
CID 83983286
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate
CID 83986142
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
CID 83982541
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
CID 83983228
N-[4-[[4-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 63596528
methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 166176346
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate (CID 83983287) is methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate is COC(=O)C(N)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate?
The InChIKey is XXBNEMOFAIYWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-15(19)14(17)12-6-8-18(9-7-12)10-11-2-4-13(16)5-3-11/h2-5,12,14H,6-10,17H2,1H3.
What are the key properties of methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate?
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate has a molecular weight of 280.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 83983287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).