methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate

C16H24N2O2 — CID 62655467

IUPACmethyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NCC1CCN(C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-4-5-15(14(10-12)16(19)20-3)17-11-13-6-8-18(2)9-7-13/h4-5,10,13,17H,6-9,11H2,1-3H3
InChIKeyIYJJVBCBJDNKND-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.54
Rot. Bonds4

About methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate

methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate (PubChem CID 62655467) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate
PubChem CID62655467
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NCC1CCN(C)CC1
InChIInChI=1S/C16H24N2O2/c1-12-4-5-15(14(10-12)16(19)20-3)17-11-13-6-8-18(2)9-7-13/h4-5,10,13,17H,6-9,11H2,1-3H3
InChIKeyIYJJVBCBJDNKND-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 60921850
2-(cyclobutylmethylamino)-5-methylbenzoic acid
CID 62514472
2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654344
methyl 5-amino-2-[2-(1-methylpiperidin-4-yl)ethylamino]benzoate
CID 114516560
4-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]benzoic acid
CID 62710632
5-methyl-2-[(4-methylcyclohexyl)methylamino]benzoic acid
CID 55225101
methyl 4-fluoro-3-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62655832
methyl 2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-5-methylbenzoate
CID 55030210
methyl 4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62654527
[2-(cyclopropylmethylamino)-5-methylphenyl]-phenylmethanone
CID 163846803
ethyl 3-bromo-4-[(1-methylpiperidin-4-yl)methylamino]benzoate
CID 62656162
methyl 5-methyl-2-(prop-2-enylamino)benzoate
CID 45089729

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate?
The IUPAC name of methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate (CID 62655467) is methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate.
What is the SMILES notation for methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate?
The canonical SMILES for methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate is COC(=O)c1cc(C)ccc1NCC1CCN(C)CC1.
What is the InChIKey of methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate?
The InChIKey is IYJJVBCBJDNKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-5-15(14(10-12)16(19)20-3)17-11-13-6-8-18(2)9-7-13/h4-5,10,13,17H,6-9,11H2,1-3H3.
What are the key properties of methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate?
methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate has a molecular weight of 276.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(1-methylpiperidin-4-yl)methylamino]benzoate is sourced from PubChem (CID 62655467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).