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

C14H18BrNO — CID 116567626

IUPAC2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
SMILESCC1(C(=O)Cc2ccc(Br)cc2)CCNCC1
InChIInChI=1S/C14H18BrNO/c1-14(6-8-16-9-7-14)13(17)10-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3
InChIKeyPBGFBTCLWHTSNS-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.95
Rot. Bonds3

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

2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone (PubChem CID 116567626) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
PubChem CID116567626
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
SMILESCC1(C(=O)Cc2ccc(Br)cc2)CCNCC1
InChIInChI=1S/C14H18BrNO/c1-14(6-8-16-9-7-14)13(17)10-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3
InChIKeyPBGFBTCLWHTSNS-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-(3-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567658
1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116570100
N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
CID 81291548
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569296
4-methyl-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 63121646
N-(4-bromophenyl)-4-propylpiperidine-4-carboxamide
CID 63127331
2-(5-ethylthiophen-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567731
2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569203
N-[2-(4-bromophenoxy)ethyl]-N,4-dimethylpiperidine-4-carboxamide
CID 63122202
N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22248330

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone (CID 116567626) is 2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone is CC1(C(=O)Cc2ccc(Br)cc2)CCNCC1.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone?
The InChIKey is PBGFBTCLWHTSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-14(6-8-16-9-7-14)13(17)10-11-2-4-12(15)5-3-11/h2-5,16H,6-10H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone?
2-(4-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-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone is sourced from PubChem (CID 116567626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).