methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate

C17H25NO2 — CID 64566277

IUPACmethyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCCC(C)C1C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13-8-7-11-18(14(13)2)12-16(17(19)20-3)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3
InChIKeyCMSNXVQFZLKPCT-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.06
Rot. Bonds4

About methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate

methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate (PubChem CID 64566277) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate
PubChem CID64566277
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Namemethyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCCC(C)C1C)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-13-8-7-11-18(14(13)2)12-16(17(19)20-3)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3
InChIKeyCMSNXVQFZLKPCT-UHFFFAOYSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64567065
methyl 2-[2-[(2,3-dimethylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462840
methyl (2S,3R)-1-benzyl-3-methylpiperidine-2-carboxylate
CID 10610504
methyl 3-[(2-methylcyclopropyl)amino]-2-phenylpropanoate
CID 64559615
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
methyl 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-phenylpropanoate
CID 81452459
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate
CID 115965519

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate?
The IUPAC name of methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate (CID 64566277) is methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate is COC(=O)C(CN1CCCC(C)C1C)c1ccccc1.
What is the InChIKey of methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate?
The InChIKey is CMSNXVQFZLKPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-8-7-11-18(14(13)2)12-16(17(19)20-3)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3.
What are the key properties of methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate?
methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate has a molecular weight of 275.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate is sourced from PubChem (CID 64566277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).