(2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone

C15H20BrClN2O — CID 103887574

IUPAC(2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCN(C(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C15H20BrClN2O/c1-18-7-4-11-5-8-19(9-6-11)15(20)13-3-2-12(17)10-14(13)16/h2-3,10-11,18H,4-9H2,1H3
InChIKeyKGENFQYGEVXSNL-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.56
Rot. Bonds4

About (2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone

(2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone (PubChem CID 103887574) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
PubChem CID103887574
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name(2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCN(C(=O)c2ccc(Cl)cc2Br)CC1
InChIInChI=1S/C15H20BrClN2O/c1-18-7-4-11-5-8-19(9-6-11)15(20)13-3-2-12(17)10-14(13)16/h2-3,10-11,18H,4-9H2,1H3
InChIKeyKGENFQYGEVXSNL-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 82884011
3-[1-(2-bromo-4-chlorobenzoyl)piperidin-4-yl]propanoic acid
CID 107986609
(2-bromo-5-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546124
(3-bromo-5-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107939965
(3-bromo-4-methylphenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 81476430
(2-bromo-4-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 107988267
(3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107973305
(2-bromo-4-chlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103766520
(2-bromo-4-chlorophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 107988289
[4-(2-aminoethyl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone
CID 82883937
6-azaspiro[2.5]octan-6-yl-(2-bromo-4-chlorophenyl)methanone
CID 167530261
(2-bromo-4-chlorophenyl)-(4-bromo-3-methylpiperidin-1-yl)methanone
CID 107994318

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone (CID 103887574) is (2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone is CNCCC1CCN(C(=O)c2ccc(Cl)cc2Br)CC1.
What is the InChIKey of (2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The InChIKey is KGENFQYGEVXSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-18-7-4-11-5-8-19(9-6-11)15(20)13-3-2-12(17)10-14(13)16/h2-3,10-11,18H,4-9H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
(2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone has a molecular weight of 359.70 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 103887574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).