(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone

C16H21BrClNO — CID 107999537

IUPAC(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C16H21BrClNO/c1-3-16(4-2)7-9-19(10-8-16)15(20)12-5-6-14(18)13(17)11-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyOFFLCJLLYHLJRC-UHFFFAOYSA-N
MW358.71 g/mol
LogP5.14
Rot. Bonds3

About (3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone

(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 107999537) has the molecular formula C16H21BrClNO and a molecular weight of 358.71 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID107999537
Molecular FormulaC16H21BrClNO
Molecular Weight358.71 g/mol
Exact Mass357.05
IUPAC Name(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C16H21BrClNO/c1-3-16(4-2)7-9-19(10-8-16)15(20)12-5-6-14(18)13(17)11-12/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyOFFLCJLLYHLJRC-UHFFFAOYSA-N
XLogP5.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.71
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

azocan-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841525
(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107952407
(3-bromo-4-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107993546
(2-chloro-5-sulfanylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107029313
1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103841681
(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63213419
(3-bromo-4-chlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 107989730
6-azaspiro[2.5]octan-6-yl-(4-bromo-3-chlorophenyl)methanone
CID 167530662
1-(3-bromo-4-chlorophenyl)sulfonyl-4,4-diethylpiperidine
CID 106612253
(2-bromo-5-sulfanylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107029315
4-(3-bromo-4-chlorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102847827
(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113329851

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone (CID 107999537) is (3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is OFFLCJLLYHLJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO/c1-3-16(4-2)7-9-19(10-8-16)15(20)12-5-6-14(18)13(17)11-12/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone has a molecular weight of 358.71 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 107999537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).