methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate

C16H23FN2O2 — CID 83983286

IUPACmethyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
SMILESCOC(=O)C(N)CC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-21-16(20)15(18)10-12-6-8-19(9-7-12)11-13-2-4-14(17)5-3-13/h2-5,12,15H,6-11,18H2,1H3
InChIKeyDPGSLAGIAYMHNX-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.93
Rot. Bonds5

About methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate

methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate (PubChem CID 83983286) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
PubChem CID83983286
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Namemethyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
SMILESCOC(=O)C(N)CC1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H23FN2O2/c1-21-16(20)15(18)10-12-6-8-19(9-7-12)11-13-2-4-14(17)5-3-13/h2-5,12,15H,6-11,18H2,1H3
InChIKeyDPGSLAGIAYMHNX-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate
CID 83986142
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-amine
CID 83983298
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
CID 83986159
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
2-amino-N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-3-methoxypropanamide
CID 69216235
1-[(4-fluorophenyl)methyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53286131
N-(2,4-dimethylpentan-3-yl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 42562266

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate (CID 83983286) is methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate is COC(=O)C(N)CC1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate?
The InChIKey is DPGSLAGIAYMHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-21-16(20)15(18)10-12-6-8-19(9-7-12)11-13-2-4-14(17)5-3-13/h2-5,12,15H,6-11,18H2,1H3.
What are the key properties of methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate?
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate has a molecular weight of 294.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate is sourced from PubChem (CID 83983286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).