6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine

C22H28N2O4 — CID 69335562

IUPAC6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine
SMILESCOc1ccc2c(c1)C(C(=O)O)CCO2.NC1CCNCC1c1ccccc1
InChIInChI=1S/C11H16N2.C11H12O4/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9;1-14-7-2-3-10-9(6-7)8(11(12)13)4-5-15-10/h1-5,10-11,13H,6-8,12H2;2-3,6,8H,4-5H2,1H3,(H,12,13)
InChIKeyAQKSWTBTMCVSKW-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.74
Rot. Bonds3

About 6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine

6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine (PubChem CID 69335562) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine.

Molecular Properties

Compound Name6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine
PubChem CID69335562
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine
SMILESCOc1ccc2c(c1)C(C(=O)O)CCO2.NC1CCNCC1c1ccccc1
InChIInChI=1S/C11H16N2.C11H12O4/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9;1-14-7-2-3-10-9(6-7)8(11(12)13)4-5-15-10/h1-5,10-11,13H,6-8,12H2;2-3,6,8H,4-5H2,1H3,(H,12,13)
InChIKeyAQKSWTBTMCVSKW-UHFFFAOYSA-N
XLogP2.74
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine?
The IUPAC name of 6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine (CID 69335562) is 6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine.
What is the SMILES notation for 6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine?
The canonical SMILES for 6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine is COc1ccc2c(c1)C(C(=O)O)CCO2.NC1CCNCC1c1ccccc1.
What is the InChIKey of 6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine?
The InChIKey is AQKSWTBTMCVSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2.C11H12O4/c12-11-6-7-13-8-10(11)9-4-2-1-3-5-9;1-14-7-2-3-10-9(6-7)8(11(12)13)4-5-15-10/h1-5,10-11,13H,6-8,12H2;2-3,6,8H,4-5H2,1H3,(H,12,13).
What are the key properties of 6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine?
6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine has a molecular weight of 384.48 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid;3-phenylpiperidin-4-amine is sourced from PubChem (CID 69335562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).