[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride

C16H22BrClN2O2 — CID 119308183

IUPAC[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C16H21BrN2O2.ClH/c17-14-3-1-2-13(10-14)15-11-19(8-9-21-15)16(20)12-4-6-18-7-5-12;/h1-3,10,12,15,18H,4-9,11H2;1H
InChIKeyVNSBKGRPRDXLJG-UHFFFAOYSA-N
MW389.72 g/mol
LogP2.77
Rot. Bonds2

About [2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride

[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride (PubChem CID 119308183) has the molecular formula C16H22BrClN2O2 and a molecular weight of 389.72 g/mol. Its IUPAC name is [2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride
PubChem CID119308183
Molecular FormulaC16H22BrClN2O2
Molecular Weight389.72 g/mol
Exact Mass388.06
IUPAC Name[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCNCC1)N1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C16H21BrN2O2.ClH/c17-14-3-1-2-13(10-14)15-11-19(8-9-21-15)16(20)12-4-6-18-7-5-12;/h1-3,10,12,15,18H,4-9,11H2;1H
InChIKeyVNSBKGRPRDXLJG-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.72
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119757100
[2-(3-bromophenyl)morpholin-4-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119757095
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(3-bromophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119757086
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 120673076
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
[2-(3-bromophenyl)morpholin-4-yl]-(3,4-difluorophenyl)methanone
CID 110364434

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of [2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride (CID 119308183) is [2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for [2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride is Cl.O=C(C1CCNCC1)N1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of [2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is VNSBKGRPRDXLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O2.ClH/c17-14-3-1-2-13(10-14)15-11-19(8-9-21-15)16(20)12-4-6-18-7-5-12;/h1-3,10,12,15,18H,4-9,11H2;1H.
What are the key properties of [2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride?
[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 389.72 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 119308183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).