1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid

C16H23NO4 — CID 106745083

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCOc1ccc(OC)c(CN2CCC(C(=O)O)CC2C)c1
InChIInChI=1S/C16H23NO4/c1-11-8-12(16(18)19)6-7-17(11)10-13-9-14(20-2)4-5-15(13)21-3/h4-5,9,11-12H,6-8,10H2,1-3H3,(H,18,19)
InChIKeyBIOIMGPWQQSADK-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.39
Rot. Bonds5

About 1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid

1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106745083) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106745083
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCOc1ccc(OC)c(CN2CCC(C(=O)O)CC2C)c1
InChIInChI=1S/C16H23NO4/c1-11-8-12(16(18)19)6-7-17(11)10-13-9-14(20-2)4-5-15(13)21-3/h4-5,9,11-12H,6-8,10H2,1-3H3,(H,18,19)
InChIKeyBIOIMGPWQQSADK-UHFFFAOYSA-N
XLogP2.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213
1-[(2-chloro-4-methylphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106865365
1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372147
(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50970711
1-[(2-fluoro-5-methoxyphenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122124597
(E)-3-[4-methoxy-3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 51673713
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[(4-bromo-2-chlorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744992
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62330700
1-[(2-cyano-5-fluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745130
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid (CID 106745083) is 1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid is COc1ccc(OC)c(CN2CCC(C(=O)O)CC2C)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is BIOIMGPWQQSADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11-8-12(16(18)19)6-7-17(11)10-13-9-14(20-2)4-5-15(13)21-3/h4-5,9,11-12H,6-8,10H2,1-3H3,(H,18,19).
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid?
1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106745083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).