2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid

C19H27NO4 — CID 59079892

IUPAC2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid
SMILESCN1CCC(CCOc2ccc3c(c2)CCC(CC(=O)O)O3)CC1
InChIInChI=1S/C19H27NO4/c1-20-9-6-14(7-10-20)8-11-23-16-4-5-18-15(12-16)2-3-17(24-18)13-19(21)22/h4-5,12,14,17H,2-3,6-11,13H2,1H3,(H,21,22)
InChIKeyUEXSPBZTGBHGCJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.97
Rot. Bonds6

About 2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid

2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid (PubChem CID 59079892) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid
PubChem CID59079892
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid
SMILESCN1CCC(CCOc2ccc3c(c2)CCC(CC(=O)O)O3)CC1
InChIInChI=1S/C19H27NO4/c1-20-9-6-14(7-10-20)8-11-23-16-4-5-18-15(12-16)2-3-17(24-18)13-19(21)22/h4-5,12,14,17H,2-3,6-11,13H2,1H3,(H,21,22)
InChIKeyUEXSPBZTGBHGCJ-UHFFFAOYSA-N
XLogP2.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-6-methyl-3,4-dihydro-2H-chromen-2-yl]acetic acid
CID 147031963
2-[6-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid
CID 14329727
2-methyl-1-[5-[2-(1-methylpiperidin-4-yl)ethoxy]-2-propan-2-ylphenyl]butan-1-one
CID 155584765
1-methyl-4-[2-(3-methylphenoxy)ethyl]piperidine
CID 58946190
2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene
CID 58660586
5-(2-cyclopropylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684696
4-(2-cyclobutylethoxy)-2-methylbenzoic acid
CID 106200438
4-[2-[(2-propan-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethyl]piperidine-1-carboxylic acid
CID 141217658
methyl 2-(6-amino-3,4-dihydro-2H-chromen-2-yl)acetate;hydrochloride
CID 157401731
N-[2-(6-methoxy-3,4-dihydro-2H-chromen-2-yl)ethyl]acetamide
CID 18177456
3-[(2-decan-2-yl-3,4-dihydro-2H-chromen-6-yl)oxy]propanoic acid
CID 66749694
2-[3-[4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethoxy]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetic acid
CID 10526731

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid?
The IUPAC name of 2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid (CID 59079892) is 2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid?
The canonical SMILES for 2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid is CN1CCC(CCOc2ccc3c(c2)CCC(CC(=O)O)O3)CC1.
What is the InChIKey of 2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid?
The InChIKey is UEXSPBZTGBHGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-20-9-6-14(7-10-20)8-11-23-16-4-5-18-15(12-16)2-3-17(24-18)13-19(21)22/h4-5,12,14,17H,2-3,6-11,13H2,1H3,(H,21,22).
What are the key properties of 2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid?
2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid has a molecular weight of 333.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid is sourced from PubChem (CID 59079892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).