1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one

C18H26BrNO — CID 63568288

IUPAC1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one
SMILESCCC1(CC)CCN(C(C)C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H26BrNO/c1-4-18(5-2)10-12-20(13-11-18)14(3)17(21)15-6-8-16(19)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyRCNYFFGAIIUEOE-UHFFFAOYSA-N
MW352.32 g/mol
LogP4.92
Rot. Bonds5

About 1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one

1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one (PubChem CID 63568288) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one
PubChem CID63568288
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one
SMILESCCC1(CC)CCN(C(C)C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H26BrNO/c1-4-18(5-2)10-12-20(13-11-18)14(3)17(21)15-6-8-16(19)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyRCNYFFGAIIUEOE-UHFFFAOYSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pyrrolidin-1-yl)-1-(4-bromophenyl)pentan-1-one
CID 11220599
2-(N-tert-Butylamino)-3'-bromopropiophenone
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1-(4-Bromophenyl)-2-(tert-butylamino)propan-1-one
CID 44542509
2-[4-[2-(4-Bromophenyl)-2-oxoethyl]piperazin-1-yl]acetonitrile
CID 586695
1-(4-Bromophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2978552
2-(4-Benzylpiperazin-1-yl)-1-(4-bromophenyl)ethanone
CID 664759
1-Propanone, 1-(4-bromophenyl)-3-(dimethylamino)-, hydrochloride (1:1)
CID 200186
4-Bromomethcathinone
CID 10421832
2-Piperidino butyrophenone
CID 20461540
4-Bromoethcathinone
CID 82100370
2-(N-Pyrrolidinyl)-3''-bromopropiophenone
CID 45141806
1-(4-Bromophenyl)-2-morpholinoethanone hydrochloride
CID 24747690

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one (CID 63568288) is 1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one is CCC1(CC)CCN(C(C)C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one?
The InChIKey is RCNYFFGAIIUEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-4-18(5-2)10-12-20(13-11-18)14(3)17(21)15-6-8-16(19)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one?
1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one has a molecular weight of 352.32 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(4,4-diethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 63568288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).