2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid

C18H25NO4 — CID 18427858

IUPAC2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid
SMILESO=C(O)CC1CCc2cc(OCCC3CCNCC3)ccc2O1
InChIInChI=1S/C18H25NO4/c20-18(21)12-16-2-1-14-11-15(3-4-17(14)23-16)22-10-7-13-5-8-19-9-6-13/h3-4,11,13,16,19H,1-2,5-10,12H2,(H,20,21)
InChIKeyFRLIAJNINVLNAI-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.62
Rot. Bonds6

About 2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid

2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid (PubChem CID 18427858) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid
PubChem CID18427858
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid
SMILESO=C(O)CC1CCc2cc(OCCC3CCNCC3)ccc2O1
InChIInChI=1S/C18H25NO4/c20-18(21)12-16-2-1-14-11-15(3-4-17(14)23-16)22-10-7-13-5-8-19-9-6-13/h3-4,11,13,16,19H,1-2,5-10,12H2,(H,20,21)
InChIKeyFRLIAJNINVLNAI-UHFFFAOYSA-N
XLogP2.62
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid?
The IUPAC name of 2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid (CID 18427858) is 2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid.
What is the SMILES notation for 2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid?
The canonical SMILES for 2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid is O=C(O)CC1CCc2cc(OCCC3CCNCC3)ccc2O1.
What is the InChIKey of 2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid?
The InChIKey is FRLIAJNINVLNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c20-18(21)12-16-2-1-14-11-15(3-4-17(14)23-16)22-10-7-13-5-8-19-9-6-13/h3-4,11,13,16,19H,1-2,5-10,12H2,(H,20,21).
What are the key properties of 2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid?
2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid has a molecular weight of 319.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-piperidin-4-ylethoxy)-3,4-dihydro-2H-chromen-2-yl]acetic acid is sourced from PubChem (CID 18427858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).