methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate

C16H24N2O2 — CID 64559049

IUPACmethyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCCC(CN)C1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-20-16(19)15(14-7-3-2-4-8-14)12-18-9-5-6-13(10-17)11-18/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3
InChIKeyOBNMUDSOFWRUSF-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.61
Rot. Bonds5

About methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate

methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate (PubChem CID 64559049) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
PubChem CID64559049
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCCC(CN)C1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-20-16(19)15(14-7-3-2-4-8-14)12-18-9-5-6-13(10-17)11-18/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3
InChIKeyOBNMUDSOFWRUSF-UHFFFAOYSA-N
XLogP1.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 64558858
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
3-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 64566086
methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64567065
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate
CID 115965519
methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate
CID 64566277
3-[(3S)-1-[(2R)-2-methoxy-2-phenylethyl]piperidin-3-yl]propanamide
CID 124843943
[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
CID 50982031
methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
CID 64567719
methyl 3-[2-(hydroxymethyl)azepan-1-yl]-2-phenylpropanoate
CID 116635216
methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate
CID 83235288

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate?
The IUPAC name of methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate (CID 64559049) is methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate is COC(=O)C(CN1CCCC(CN)C1)c1ccccc1.
What is the InChIKey of methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate?
The InChIKey is OBNMUDSOFWRUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-16(19)15(14-7-3-2-4-8-14)12-18-9-5-6-13(10-17)11-18/h2-4,7-8,13,15H,5-6,9-12,17H2,1H3.
What are the key properties of methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate?
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate has a molecular weight of 276.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate is sourced from PubChem (CID 64559049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).