2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C17H24BrN3O2 — CID 3697678

IUPAC2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(Cc2ccc(Br)cc2)CC1)N1CCOCC1
InChIInChI=1S/C17H24BrN3O2/c18-16-3-1-15(2-4-16)13-19-5-7-20(8-6-19)14-17(22)21-9-11-23-12-10-21/h1-4H,5-14H2
InChIKeyMIROQWMKYAASRN-UHFFFAOYSA-N
MW382.30 g/mol
LogP1.43
Rot. Bonds4

About 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 3697678) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID3697678
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCN(Cc2ccc(Br)cc2)CC1)N1CCOCC1
InChIInChI=1S/C17H24BrN3O2/c18-16-3-1-15(2-4-16)13-19-5-7-20(8-6-19)14-17(22)21-9-11-23-12-10-21/h1-4H,5-14H2
InChIKeyMIROQWMKYAASRN-UHFFFAOYSA-N
XLogP1.43
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 3697678) is 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCN(Cc2ccc(Br)cc2)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is MIROQWMKYAASRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c18-16-3-1-15(2-4-16)13-19-5-7-20(8-6-19)14-17(22)21-9-11-23-12-10-21/h1-4H,5-14H2.
What are the key properties of 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 382.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 3697678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).