2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid

C18H28N2O4 — CID 72853536

IUPAC2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C)CCN2CCCCC2)cc1OC
InChIInChI=1S/C18H28N2O4/c1-19(11-12-20-9-5-4-6-10-20)17(18(21)22)14-7-8-15(23-2)16(13-14)24-3/h7-8,13,17H,4-6,9-12H2,1-3H3,(H,21,22)
InChIKeyQEYSPMZSZHSCRS-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.25
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid

2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid (PubChem CID 72853536) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid
PubChem CID72853536
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid
SMILESCOc1ccc(C(C(=O)O)N(C)CCN2CCCCC2)cc1OC
InChIInChI=1S/C18H28N2O4/c1-19(11-12-20-9-5-4-6-10-20)17(18(21)22)14-7-8-15(23-2)16(13-14)24-3/h7-8,13,17H,4-6,9-12H2,1-3H3,(H,21,22)
InChIKeyQEYSPMZSZHSCRS-UHFFFAOYSA-N
XLogP2.25
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-methoxy-2-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetic acid
CID 97200558
2-[cyclopropyl(methyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 112514944
1-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethanol
CID 56686974
2-(4-methoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]ethanol
CID 111434925
3-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 109033634
2-(3-chloro-4-methoxyphenyl)-2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 72837719
2-[bis(prop-2-enyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 82345091
2-[[2-amino-1-(3,4-dimethoxyphenyl)-2-sulfanylideneethyl]-methylamino]acetic acid
CID 84749604
2-[4-(2-acetyloxyethyl)piperazin-1-yl]ethyl acetate;1,2-dimethoxy-4-propan-2-ylbenzene;dihydrochloride
CID 19776584
3-[1-(3,4-dimethoxyphenyl)ethyl-methylamino]propanoic acid
CID 2902334
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
(1S)-1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 78936711

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid (CID 72853536) is 2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid is COc1ccc(C(C(=O)O)N(C)CCN2CCCCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid?
The InChIKey is QEYSPMZSZHSCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-19(11-12-20-9-5-4-6-10-20)17(18(21)22)14-7-8-15(23-2)16(13-14)24-3/h7-8,13,17H,4-6,9-12H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid?
2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid has a molecular weight of 336.43 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-[methyl(2-piperidin-1-ylethyl)amino]acetic acid is sourced from PubChem (CID 72853536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).