4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine

C16H23BrN2O — CID 806418

IUPAC4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine
SMILESBrc1ccc(CN2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C16H23BrN2O/c17-15-3-1-14(2-4-15)13-18-7-5-16(6-8-18)19-9-11-20-12-10-19/h1-4,16H,5-13H2
InChIKeyHZZLRXUTSFXSNS-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.75
Rot. Bonds3

About 4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine

4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine (PubChem CID 806418) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine
PubChem CID806418
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine
SMILESBrc1ccc(CN2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C16H23BrN2O/c17-15-3-1-14(2-4-15)13-18-7-5-16(6-8-18)19-9-11-20-12-10-19/h1-4,16H,5-13H2
InChIKeyHZZLRXUTSFXSNS-UHFFFAOYSA-N
XLogP2.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Bromobenzyl)morpholine
CID 783082
4-(4-Bromobenzyl)morpholine
CID 783503
N-(3-bromobenzyl)-3-(4-morpholinyl)-1-propanamine dihydrochloride
CID 16189528
4-(2-Bromobenzyl)morpholine
CID 2845477
(4-Bromophenyl)(morpholino)methanethione
CID 812266
2-[4-[(4-Bromophenyl)methyl]piperazin-1-yl]ethanol
CID 768218
4-(4-Bromo-2-fluorobenzyl)morpholine
CID 21914503
1'-(2-Bromobenzyl)-1,4'-bipiperidine
CID 756342
2-{4-[(4-Bromophenyl)methyl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one
CID 3697678
4-(3-Bromo-4-fluorobenzyl)morpholine
CID 782859
Morpholine, 4-(3-phenyl-3-piperidinopropyl)-, dihydrochloride
CID 201939
4-(4-Bromophenethyl)morpholine
CID 12177801

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine (CID 806418) is 4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine is Brc1ccc(CN2CCC(N3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine?
The InChIKey is HZZLRXUTSFXSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c17-15-3-1-14(2-4-15)13-18-7-5-16(6-8-18)19-9-11-20-12-10-19/h1-4,16H,5-13H2.
What are the key properties of 4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine?
4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine has a molecular weight of 339.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-bromophenyl)methyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 806418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).