methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate

C15H22N2O2 — CID 62654527

IUPACmethyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
SMILESCOC(=O)c1ccc(NCC2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-17-9-7-12(8-10-17)11-16-14-5-3-13(4-6-14)15(18)19-2/h3-6,12,16H,7-11H2,1-2H3
InChIKeyXDGWFYVTYHVIDD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.23
Rot. Bonds4

About methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate

methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate (PubChem CID 62654527) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
PubChem CID62654527
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
SMILESCOC(=O)c1ccc(NCC2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-17-9-7-12(8-10-17)11-16-14-5-3-13(4-6-14)15(18)19-2/h3-6,12,16H,7-11H2,1-2H3
InChIKeyXDGWFYVTYHVIDD-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655829
methyl 4-fluoro-3-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655832
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126
methyl 4-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 108995454
ethyl 4-(cyclopropylmethylamino)benzoate
CID 43654962
N-[(1-methylpiperidin-4-yl)methyl]-4-methylsulfanylaniline
CID 62655952
methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655467
4-butan-2-yl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655648
methyl 4-[1-(1-methylpiperidin-4-yl)ethoxy]benzoate
CID 117053576
N-[(1-methylpiperidin-4-yl)methyl]-4-(triazol-2-yl)aniline
CID 62659052
4-(cyclohexylmethylamino)benzoic acid
CID 13273360
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658840

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate?
The IUPAC name of methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate (CID 62654527) is methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate.
What is the SMILES notation for methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate?
The canonical SMILES for methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate is COC(=O)c1ccc(NCC2CCN(C)CC2)cc1.
What is the InChIKey of methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate?
The InChIKey is XDGWFYVTYHVIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-9-7-12(8-10-17)11-16-14-5-3-13(4-6-14)15(18)19-2/h3-6,12,16H,7-11H2,1-2H3.
What are the key properties of methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate?
methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate has a molecular weight of 262.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate is sourced from PubChem (CID 62654527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).