1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid

C16H23NO4 — CID 122121719

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(OCCN2CC(C)CC(C(=O)O)C2)cc1
InChIInChI=1S/C16H23NO4/c1-12-9-13(16(18)19)11-17(10-12)7-8-21-15-5-3-14(20-2)4-6-15/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)
InChIKeyPSIPZIKSHOAAQE-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.12
Rot. Bonds6

About 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122121719) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122121719
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(OCCN2CC(C)CC(C(=O)O)C2)cc1
InChIInChI=1S/C16H23NO4/c1-12-9-13(16(18)19)11-17(10-12)7-8-21-15-5-3-14(20-2)4-6-15/h3-6,12-13H,7-11H2,1-2H3,(H,18,19)
InChIKeyPSIPZIKSHOAAQE-UHFFFAOYSA-N
XLogP2.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidine-3-carboxylic acid
CID 122121289
1-[3-(3,4-dimethylphenoxy)propyl]-5-methylpiperidine-3-carboxylic acid
CID 122121422
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]benzohydrazide
CID 63569886
1-[(5-methoxy-1-benzofuran-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125323
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133188335
N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 100668537
5-methyl-1-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121400
5-methyl-1-propylpiperidine-3-carboxylic acid
CID 130942470
1-[4-(3-methoxypropoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118061
(3S,4S)-4-methyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 98534348
methyl 4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]benzoate
CID 23150262

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid (CID 122121719) is 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid is COc1ccc(OCCN2CC(C)CC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is PSIPZIKSHOAAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-9-13(16(18)19)11-17(10-12)7-8-21-15-5-3-14(20-2)4-6-15/h3-6,12-13H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 293.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122121719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).