1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid

C16H23NO3 — CID 3567372

IUPAC1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cc(C)c(C)cc1CN1CCCCC1C(=O)O
InChIInChI=1S/C16H23NO3/c1-11-8-13(15(20-3)9-12(11)2)10-17-7-5-4-6-14(17)16(18)19/h8-9,14H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyULWWAEWHSBPWKG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.75
Rot. Bonds4

About 1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid

1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 3567372) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID3567372
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cc(C)c(C)cc1CN1CCCCC1C(=O)O
InChIInChI=1S/C16H23NO3/c1-11-8-13(15(20-3)9-12(11)2)10-17-7-5-4-6-14(17)16(18)19/h8-9,14H,4-7,10H2,1-3H3,(H,18,19)
InChIKeyULWWAEWHSBPWKG-UHFFFAOYSA-N
XLogP2.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid
CID 4314119
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
(2S)-1-[(5-chloro-2-methoxy-4-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid
CID 170294062
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216
1-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 122036450
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
1-[(2,4-dimethylphenyl)methyl]azepane-2-carboxylic acid
CID 65069954
(2R)-1-[(2-methoxy-5-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxylic acid
CID 167938640
1-[(4-methoxy-3,5-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3265139
1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 4612609
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
1-[(2-fluoro-5-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 114055337

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid (CID 3567372) is 1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid is COc1cc(C)c(C)cc1CN1CCCCC1C(=O)O.
What is the InChIKey of 1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is ULWWAEWHSBPWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-8-13(15(20-3)9-12(11)2)10-17-7-5-4-6-14(17)16(18)19/h8-9,14H,4-7,10H2,1-3H3,(H,18,19).
What are the key properties of 1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid?
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3567372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).