[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C17H23BrN2O2 — CID 43918722

IUPAC[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(Cc2ccc(Br)cc2)C1)N1CCOCC1
InChIInChI=1S/C17H23BrN2O2/c18-16-5-3-14(4-6-16)12-19-7-1-2-15(13-19)17(21)20-8-10-22-11-9-20/h3-6,15H,1-2,7-13H2
InChIKeyWUHAKEWRMVRZLQ-UHFFFAOYSA-N
MW367.29 g/mol
LogP2.52
Rot. Bonds3

About [1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 43918722) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID43918722
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(Cc2ccc(Br)cc2)C1)N1CCOCC1
InChIInChI=1S/C17H23BrN2O2/c18-16-5-3-14(4-6-16)12-19-7-1-2-15(13-19)17(21)20-8-10-22-11-9-20/h3-6,15H,1-2,7-13H2
InChIKeyWUHAKEWRMVRZLQ-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 70779312
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(4-bromophenyl)methyl]piperidin-3-yl]methanone
CID 43926332
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
[1-[(3-bromophenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2931967
[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 56752149

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 43918722) is [1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCCN(Cc2ccc(Br)cc2)C1)N1CCOCC1.
What is the InChIKey of [1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WUHAKEWRMVRZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c18-16-5-3-14(4-6-16)12-19-7-1-2-15(13-19)17(21)20-8-10-22-11-9-20/h3-6,15H,1-2,7-13H2.
What are the key properties of [1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 367.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 43918722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).