1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid

C16H23NO3 — CID 5235973

IUPAC1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1c(C)cc(C)cc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C16H23NO3/c1-11-7-12(2)15(20-3)14(8-11)10-17-6-4-5-13(9-17)16(18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyYWMOFHTTXJGIPX-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.61
Rot. Bonds4

About 1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid

1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 5235973) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID5235973
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
SMILESCOc1c(C)cc(C)cc1CN1CCCC(C(=O)O)C1
InChIInChI=1S/C16H23NO3/c1-11-7-12(2)15(20-3)14(8-11)10-17-6-4-5-13(9-17)16(18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyYWMOFHTTXJGIPX-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 5182680
N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide
CID 95192416
(2S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]azetidine-2-carboxylic acid
CID 99937830
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
1-[(2-ethyl-4,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166303450
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidine-3-carboxylic acid
CID 91779862
1-[[2-(2-methylphenyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 122040656
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848176
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42567289
[1-[[(3R,4R)-4-(hydroxymethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]methanol
CID 72904268

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid (CID 5235973) is 1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid is COc1c(C)cc(C)cc1CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is YWMOFHTTXJGIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-7-12(2)15(20-3)14(8-11)10-17-6-4-5-13(9-17)16(18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid?
1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 5235973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).