2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone

C17H18BrNO2 — CID 675984

IUPAC2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone
SMILESO=C(COc1ccc2ccccc2c1Br)N1CCCCC1
InChIInChI=1S/C17H18BrNO2/c18-17-14-7-3-2-6-13(14)8-9-15(17)21-12-16(20)19-10-4-1-5-11-19/h2-3,6-9H,1,4-5,10-12H2
InChIKeyPMIRSUMMDKSKOB-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.99
Rot. Bonds3

About 2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone

2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone (PubChem CID 675984) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone
PubChem CID675984
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone
SMILESO=C(COc1ccc2ccccc2c1Br)N1CCCCC1
InChIInChI=1S/C17H18BrNO2/c18-17-14-7-3-2-6-13(14)8-9-15(17)21-12-16(20)19-10-4-1-5-11-19/h2-3,6-9H,1,4-5,10-12H2
InChIKeyPMIRSUMMDKSKOB-UHFFFAOYSA-N
XLogP3.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone (CID 675984) is 2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone is O=C(COc1ccc2ccccc2c1Br)N1CCCCC1.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone?
The InChIKey is PMIRSUMMDKSKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c18-17-14-7-3-2-6-13(14)8-9-15(17)21-12-16(20)19-10-4-1-5-11-19/h2-3,6-9H,1,4-5,10-12H2.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone?
2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone has a molecular weight of 348.24 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylethanone is sourced from PubChem (CID 675984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).