1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone

C19H25BrN2O2 — CID 59686441

IUPAC1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(/C=C/c2ccccc2Br)CC1
InChIInChI=1S/C19H25BrN2O2/c20-18-4-2-1-3-17(18)6-5-16-7-9-22(10-8-16)19(23)15-21-11-13-24-14-12-21/h1-6,16H,7-15H2/b6-5+
InChIKeyGAFHDBNIXBAFSH-AATRIKPKSA-N
MW393.33 g/mol
LogP3.03
Rot. Bonds4

About 1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 59686441) has the molecular formula C19H25BrN2O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID59686441
Molecular FormulaC19H25BrN2O2
Molecular Weight393.33 g/mol
Exact Mass392.11
IUPAC Name1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCC(/C=C/c2ccccc2Br)CC1
InChIInChI=1S/C19H25BrN2O2/c20-18-4-2-1-3-17(18)6-5-16-7-9-22(10-8-16)19(23)15-21-11-13-24-14-12-21/h1-6,16H,7-15H2/b6-5+
InChIKeyGAFHDBNIXBAFSH-AATRIKPKSA-N
XLogP3.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 59686441) is 1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCC(/C=C/c2ccccc2Br)CC1.
What is the InChIKey of 1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is GAFHDBNIXBAFSH-AATRIKPKSA-N. The full InChI is InChI=1S/C19H25BrN2O2/c20-18-4-2-1-3-17(18)6-5-16-7-9-22(10-8-16)19(23)15-21-11-13-24-14-12-21/h1-6,16H,7-15H2/b6-5+.
What are the key properties of 1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 393.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(2-bromophenyl)ethenyl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 59686441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).