3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one

C15H21BrN2O — CID 124575658

IUPAC3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCN[C@@H]1CCCN(C(=O)CCc2ccccc2Br)C1
InChIInChI=1S/C15H21BrN2O/c1-17-13-6-4-10-18(11-13)15(19)9-8-12-5-2-3-7-14(12)16/h2-3,5,7,13,17H,4,6,8-11H2,1H3/t13-/m1/s1
InChIKeyURHJKRRXDFOBBF-CYBMUJFWSA-N
MW325.25 g/mol
LogP2.59
Rot. Bonds4

About 3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one

3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 124575658) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID124575658
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCN[C@@H]1CCCN(C(=O)CCc2ccccc2Br)C1
InChIInChI=1S/C15H21BrN2O/c1-17-13-6-4-10-18(11-13)15(19)9-8-12-5-2-3-7-14(12)16/h2-3,5,7,13,17H,4,6,8-11H2,1H3/t13-/m1/s1
InChIKeyURHJKRRXDFOBBF-CYBMUJFWSA-N
XLogP2.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115277240
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
3-(2-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490352
3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119492298
2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488419
3-(4-bromothiophen-2-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493881
2-[[(4S)-1-[3-(2-bromophenyl)propanoyl]azepan-4-yl]-methylamino]acetic acid
CID 129399201
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 62535020

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one (CID 124575658) is 3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one is CN[C@@H]1CCCN(C(=O)CCc2ccccc2Br)C1.
What is the InChIKey of 3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is URHJKRRXDFOBBF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-17-13-6-4-10-18(11-13)15(19)9-8-12-5-2-3-7-14(12)16/h2-3,5,7,13,17H,4,6,8-11H2,1H3/t13-/m1/s1.
What are the key properties of 3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one?
3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 325.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124575658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).