3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

C15H22BrClN2O2 — CID 119559885

IUPAC3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)CCOc2ccccc2Br)CC1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-17-12-6-9-18(10-7-12)15(19)8-11-20-14-5-3-2-4-13(14)16;/h2-5,12,17H,6-11H2,1H3;1H
InChIKeyMQBVFRBYIMXOFT-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.85
Rot. Bonds5

About 3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride

3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119559885) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is 3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119559885
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC Name3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNC1CCN(C(=O)CCOc2ccccc2Br)CC1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-17-12-6-9-18(10-7-12)15(19)8-11-20-14-5-3-2-4-13(14)16;/h2-5,12,17H,6-11H2,1H3;1H
InChIKeyMQBVFRBYIMXOFT-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562734
3-(2-bromophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119542780
1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one
CID 119372982
3-(2-bromo-4-methylphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119563431
N-[1-[4-(2-bromophenoxy)butanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 60511421
3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124574968
3-(2-aminophenoxy)-1-(4-propylpiperidin-1-yl)propan-1-one
CID 62199061
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119559826
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-bromophenoxy)propan-1-one
CID 119466311
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555612
3-(2-chlorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539606
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119623158

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride (CID 119559885) is 3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is CNC1CCN(C(=O)CCOc2ccccc2Br)CC1.Cl.
What is the InChIKey of 3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is MQBVFRBYIMXOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-17-12-6-9-18(10-7-12)15(19)8-11-20-14-5-3-2-4-13(14)16;/h2-5,12,17H,6-11H2,1H3;1H.
What are the key properties of 3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride?
3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119559885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).