3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide

C18H26BrN2O2- — CID 53313064

IUPAC3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide
SMILESO=C(CCN1CCOCC1)c1ccc(N2CCCCC2)cc1.[Br-]
InChIInChI=1S/C18H26N2O2.BrH/c21-18(8-11-19-12-14-22-15-13-19)16-4-6-17(7-5-16)20-9-2-1-3-10-20;/h4-7H,1-3,8-15H2;1H/p-1
InChIKeyXMURZXALJYXGTJ-UHFFFAOYSA-M
MW382.32 g/mol
LogP-0.41
Rot. Bonds5

About 3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide

3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide (PubChem CID 53313064) has the molecular formula C18H26BrN2O2- and a molecular weight of 382.32 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide.

Molecular Properties

Compound Name3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide
PubChem CID53313064
Molecular FormulaC18H26BrN2O2-
Molecular Weight382.32 g/mol
Exact Mass381.12
IUPAC Name3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide
SMILESO=C(CCN1CCOCC1)c1ccc(N2CCCCC2)cc1.[Br-]
InChIInChI=1S/C18H26N2O2.BrH/c21-18(8-11-19-12-14-22-15-13-19)16-4-6-17(7-5-16)20-9-2-1-3-10-20;/h4-7H,1-3,8-15H2;1H/p-1
InChIKeyXMURZXALJYXGTJ-UHFFFAOYSA-M
XLogP-0.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide?
The IUPAC name of 3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide (CID 53313064) is 3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide.
What is the SMILES notation for 3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide?
The canonical SMILES for 3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide is O=C(CCN1CCOCC1)c1ccc(N2CCCCC2)cc1.[Br-].
What is the InChIKey of 3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide?
The InChIKey is XMURZXALJYXGTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H26N2O2.BrH/c21-18(8-11-19-12-14-22-15-13-19)16-4-6-17(7-5-16)20-9-2-1-3-10-20;/h4-7H,1-3,8-15H2;1H/p-1.
What are the key properties of 3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide?
3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide has a molecular weight of 382.32 g/mol, XLogP of -0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-(4-piperidin-1-ylphenyl)propan-1-one bromide is sourced from PubChem (CID 53313064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).