4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid

C17H23NO3 — CID 104524822

IUPAC4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
SMILESCC1COc2ccccc2C1N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C17H23NO3/c1-12-11-21-14-6-4-3-5-13(14)15(12)18-9-7-17(2,8-10-18)16(19)20/h3-6,12,15H,7-11H2,1-2H3,(H,19,20)
InChIKeyRBOSAUWPWLNINC-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.94
Rot. Bonds2

About 4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid

4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid (PubChem CID 104524822) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
PubChem CID104524822
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
SMILESCC1COc2ccccc2C1N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C17H23NO3/c1-12-11-21-14-6-4-3-5-13(14)15(12)18-9-7-17(2,8-10-18)16(19)20/h3-6,12,15H,7-11H2,1-2H3,(H,19,20)
InChIKeyRBOSAUWPWLNINC-UHFFFAOYSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524836
[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]methanamine
CID 104524556
1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidine-2-carboxylic acid
CID 104524796
N-methyl-2-[1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidin-4-yl]ethanamine
CID 104524583
2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine
CID 104524590
1-(2,3-dihydro-1-benzofuran-3-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595372
(3R)-1-[2-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695266
(3S)-1-[2-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695179
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
4-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]oxolane-3-carboxylic acid
CID 104524841
N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide
CID 104524593
2-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
CID 104524795

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid (CID 104524822) is 4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid is CC1COc2ccccc2C1N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid?
The InChIKey is RBOSAUWPWLNINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-11-21-14-6-4-3-5-13(14)15(12)18-9-7-17(2,8-10-18)16(19)20/h3-6,12,15H,7-11H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid?
4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 104524822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).