(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone

C16H21BrClNO — CID 107952407

IUPAC(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C16H21BrClNO/c1-3-16(4-2)5-7-19(8-6-16)15(20)12-9-13(17)11-14(18)10-12/h9-11H,3-8H2,1-2H3
InChIKeyBJOGZJDYAPHMSZ-UHFFFAOYSA-N
MW358.71 g/mol
LogP5.14
Rot. Bonds3

About (3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone

(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 107952407) has the molecular formula C16H21BrClNO and a molecular weight of 358.71 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID107952407
Molecular FormulaC16H21BrClNO
Molecular Weight358.71 g/mol
Exact Mass357.05
IUPAC Name(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C16H21BrClNO/c1-3-16(4-2)5-7-19(8-6-16)15(20)12-9-13(17)11-14(18)10-12/h9-11H,3-8H2,1-2H3
InChIKeyBJOGZJDYAPHMSZ-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

(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 107952405
(3-bromo-4-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107999537
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
(3-bromo-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110407354
1-(3-bromo-5-chlorobenzoyl)-4-methylsulfanylpiperidine-4-carbothioamide
CID 107939043
1-[4-(3-bromo-5-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 103826408
(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812651
(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107939965
2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
CID 107938177
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
(3-bromo-5-chlorophenyl)-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106314300
N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
CID 103826810

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone (CID 107952407) is (3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is BJOGZJDYAPHMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO/c1-3-16(4-2)5-7-19(8-6-16)15(20)12-9-13(17)11-14(18)10-12/h9-11H,3-8H2,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone?
(3-bromo-5-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-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 107952407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).