methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate

C16H24N2O2 — CID 43308775

IUPACmethyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)C1CCCN(C)C1
InChIInChI=1S/C16H24N2O2/c1-12(13-7-6-10-18(2)11-13)17-15-9-5-4-8-14(15)16(19)20-3/h4-5,8-9,12-13,17H,6-7,10-11H2,1-3H3
InChIKeyWFPPEXFGJBVPLQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.62
Rot. Bonds4

About methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate

methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate (PubChem CID 43308775) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
PubChem CID43308775
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)C1CCCN(C)C1
InChIInChI=1S/C16H24N2O2/c1-12(13-7-6-10-18(2)11-13)17-15-9-5-4-8-14(15)16(19)20-3/h4-5,8-9,12-13,17H,6-7,10-11H2,1-3H3
InChIKeyWFPPEXFGJBVPLQ-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-methylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307860
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43750067
methyl 2-amino-3-(1-cyclopentylethylamino)benzoate
CID 113333032
3-iodo-2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 113368981
methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43139508
N-[1-(1-methylpiperidin-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 43307588
1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone
CID 117051814
2,6-dimethyl-3-[1-(1-methylpiperidin-3-yl)ethylamino]phenol
CID 43741661
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
N-[1-(1-methylpiperidin-3-yl)ethyl]-2-(tetrazol-1-yl)aniline
CID 43702094
N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine
CID 43681268
methyl 2-(cyclopropylamino)benzoate
CID 83697867

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate?
The IUPAC name of methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate (CID 43308775) is methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate.
What is the SMILES notation for methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate?
The canonical SMILES for methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate is COC(=O)c1ccccc1NC(C)C1CCCN(C)C1.
What is the InChIKey of methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate?
The InChIKey is WFPPEXFGJBVPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(13-7-6-10-18(2)11-13)17-15-9-5-4-8-14(15)16(19)20-3/h4-5,8-9,12-13,17H,6-7,10-11H2,1-3H3.
What are the key properties of methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate?
methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate has a molecular weight of 276.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1-methylpiperidin-3-yl)ethylamino]benzoate is sourced from PubChem (CID 43308775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).