2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone

C14H18BrNO — CID 875891

IUPAC2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrNO/c1-11-3-2-8-16(10-11)14(17)9-12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3/t11-/m1/s1
InChIKeyFYNZUHNAPRBVAX-LLVKDONJSA-N
MW296.21 g/mol
LogP3.25
Rot. Bonds2

About 2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone

2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone (PubChem CID 875891) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
PubChem CID875891
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrNO/c1-11-3-2-8-16(10-11)14(17)9-12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3/t11-/m1/s1
InChIKeyFYNZUHNAPRBVAX-LLVKDONJSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864
N,N-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110674517
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
1-(3-amino-5-methylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 79993868
1-(3-methylpiperidin-1-yl)-2-(1H-pyrrol-3-yl)ethanone
CID 110769174
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-bromophenyl)ethanone;hydrochloride
CID 119411406
2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 63590667
1-(4-acetylpiperidin-1-yl)-2-(4-bromophenyl)ethanone
CID 112536855
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158
1-[4-[2-(4-bromophenyl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796892

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone (CID 875891) is 2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone is C[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is FYNZUHNAPRBVAX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-11-3-2-8-16(10-11)14(17)9-12-4-6-13(15)7-5-12/h4-7,11H,2-3,8-10H2,1H3/t11-/m1/s1.
What are the key properties of 2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 296.21 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 875891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).