1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid

C17H23NO4 — CID 82186691

IUPAC1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid
SMILESCCc1ccc2c(c1)C(O)C(N1CCCC(C(=O)O)C1)CO2
InChIInChI=1S/C17H23NO4/c1-2-11-5-6-15-13(8-11)16(19)14(10-22-15)18-7-3-4-12(9-18)17(20)21/h5-6,8,12,14,16,19H,2-4,7,9-10H2,1H3,(H,20,21)
InChIKeyNUNSHBKFRKJUDI-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.84
Rot. Bonds3

About 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid

1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid (PubChem CID 82186691) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid
PubChem CID82186691
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid
SMILESCCc1ccc2c(c1)C(O)C(N1CCCC(C(=O)O)C1)CO2
InChIInChI=1S/C17H23NO4/c1-2-11-5-6-15-13(8-11)16(19)14(10-22-15)18-7-3-4-12(9-18)17(20)21/h5-6,8,12,14,16,19H,2-4,7,9-10H2,1H3,(H,20,21)
InChIKeyNUNSHBKFRKJUDI-UHFFFAOYSA-N
XLogP1.84
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidin-4-one
CID 82186692
6-methyl-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186640
6-ethoxy-3-(3-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82187138
6-ethyl-3-[methyl-(1-methylpiperidin-4-yl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 82186664
3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 63165497
3-(2-ethylpiperidin-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 82186639
2-(3-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 117203462
6-fluoro-3-(4-methylpiperidin-1-yl)-3,4-dihydro-2H-chromen-4-ol
CID 82186959
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl]piperidine-3-carboxylic acid
CID 126786883
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 3571915
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)piperidine-3-carboxylic acid
CID 65054433
methyl 1-(4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-4-carboxylate
CID 82186516

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid (CID 82186691) is 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid is CCc1ccc2c(c1)C(O)C(N1CCCC(C(=O)O)C1)CO2.
What is the InChIKey of 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid?
The InChIKey is NUNSHBKFRKJUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-2-11-5-6-15-13(8-11)16(19)14(10-22-15)18-7-3-4-12(9-18)17(20)21/h5-6,8,12,14,16,19H,2-4,7,9-10H2,1H3,(H,20,21).
What are the key properties of 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid?
1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 82186691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).