1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone

C19H29NO4 — CID 67916212

IUPAC1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone
SMILESCOc1ccc(OC(C)C)cc1C(=O)COCCN1CCCCC1
InChIInChI=1S/C19H29NO4/c1-15(2)24-16-7-8-19(22-3)17(13-16)18(21)14-23-12-11-20-9-5-4-6-10-20/h7-8,13,15H,4-6,9-12,14H2,1-3H3
InChIKeyTZRJBZNWMWNQGN-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.17
Rot. Bonds9

About 1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone

1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone (PubChem CID 67916212) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is 1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone
PubChem CID67916212
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone
SMILESCOc1ccc(OC(C)C)cc1C(=O)COCCN1CCCCC1
InChIInChI=1S/C19H29NO4/c1-15(2)24-16-7-8-19(22-3)17(13-16)18(21)14-23-12-11-20-9-5-4-6-10-20/h7-8,13,15H,4-6,9-12,14H2,1-3H3
InChIKeyTZRJBZNWMWNQGN-UHFFFAOYSA-N
XLogP3.17
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone?
The IUPAC name of 1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone (CID 67916212) is 1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone.
What is the SMILES notation for 1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone?
The canonical SMILES for 1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone is COc1ccc(OC(C)C)cc1C(=O)COCCN1CCCCC1.
What is the InChIKey of 1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone?
The InChIKey is TZRJBZNWMWNQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-15(2)24-16-7-8-19(22-3)17(13-16)18(21)14-23-12-11-20-9-5-4-6-10-20/h7-8,13,15H,4-6,9-12,14H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone?
1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone has a molecular weight of 335.44 g/mol, XLogP of 3.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-propan-2-yloxyphenyl)-2-(2-piperidin-1-ylethoxy)ethanone is sourced from PubChem (CID 67916212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).