2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone

C14H18BrNO — CID 116567658

IUPAC2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
SMILESCC1(C(=O)Cc2cccc(Br)c2)CCNCC1
InChIInChI=1S/C14H18BrNO/c1-14(5-7-16-8-6-14)13(17)10-11-3-2-4-12(15)9-11/h2-4,9,16H,5-8,10H2,1H3
InChIKeyXTLCROLSVZILQG-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.95
Rot. Bonds3

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

2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone (PubChem CID 116567658) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
PubChem CID116567658
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
SMILESCC1(C(=O)Cc2cccc(Br)c2)CCNCC1
InChIInChI=1S/C14H18BrNO/c1-14(5-7-16-8-6-14)13(17)10-11-3-2-4-12(15)9-11/h2-4,9,16H,5-8,10H2,1H3
InChIKeyXTLCROLSVZILQG-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567626
N-[(3-bromophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143655
2-(3-bromophenyl)acetate
CID 3608673
2-(3-bromophenyl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750033
1-(1-aminocyclobutyl)-3-(3-bromophenyl)propan-2-one
CID 116591315
N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
CID 81291548
N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119796446
2-(3-bromophenyl)acetamide
CID 11736027
N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634778
N-[(3-bromophenyl)methyl]-1-methylcyclohexane-1-carboxamide
CID 104985996
3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891255
2-[3-[(4-ethylpiperidine-4-carbonyl)amino]phenyl]acetic acid
CID 65350521

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone (CID 116567658) is 2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone is CC1(C(=O)Cc2cccc(Br)c2)CCNCC1.
What is the InChIKey of 2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone?
The InChIKey is XTLCROLSVZILQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-14(5-7-16-8-6-14)13(17)10-11-3-2-4-12(15)9-11/h2-4,9,16H,5-8,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone?
2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone has a molecular weight of 296.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 116567658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).