(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone

C15H19BrClNO — CID 107952405

IUPAC(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C15H19BrClNO/c1-3-15(2)4-6-18(7-5-15)14(19)11-8-12(16)10-13(17)9-11/h8-10H,3-7H2,1-2H3
InChIKeyDVLFEPZVPAZTDP-UHFFFAOYSA-N
MW344.68 g/mol
LogP4.75
Rot. Bonds2

About (3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone

(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone (PubChem CID 107952405) has the molecular formula C15H19BrClNO and a molecular weight of 344.68 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
PubChem CID107952405
Molecular FormulaC15H19BrClNO
Molecular Weight344.68 g/mol
Exact Mass343.03
IUPAC Name(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1
InChIInChI=1S/C15H19BrClNO/c1-3-15(2)4-6-18(7-5-15)14(19)11-8-12(16)10-13(17)9-11/h8-10H,3-7H2,1-2H3
InChIKeyDVLFEPZVPAZTDP-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107952407
(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812651
(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-methoxy-3-methylpiperidin-1-yl)methanone
CID 107470758
(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107939965
[4-(bromomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 102851649
2-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetic acid
CID 107938177
(3-bromo-5-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107952466
(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone
CID 55137830

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone (CID 107952405) is (3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone is CCC1(C)CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The InChIKey is DVLFEPZVPAZTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClNO/c1-3-15(2)4-6-18(7-5-15)14(19)11-8-12(16)10-13(17)9-11/h8-10H,3-7H2,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone?
(3-bromo-5-chlorophenyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone has a molecular weight of 344.68 g/mol, XLogP of 4.75, 2 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-ethyl-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 107952405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).